data_2yt0_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 2yt0 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 18' ' ' LEU . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.808 0.337 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 t -59.3 -60.37 3.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -54.43 -30.96 54.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.461 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 10.0 mtp -67.78 -42.14 82.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -73.13 -27.26 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -70.95 -65.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.42 -60.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.05 -149.73 17.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.478 ' CE1' ' SG ' ' A' ' 176' ' ' CYS . 2.3 t80 -143.99 108.16 4.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 110.933 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.523 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 21.7 mp0 -104.65 122.42 45.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 32.4 t-20 -65.17 123.16 83.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -41.12 4.59 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.3 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.817 0.341 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -120.27 133.11 55.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.02 124.51 50.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -120.44 130.54 54.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -80.78 106.17 12.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.0 m -132.24 169.57 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -105.82 159.85 15.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -106.68 131.07 54.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.8 mp -99.64 -39.95 8.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.35 172.1 13.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.511 ' HG3' ' CE1' ' A' ' 157' ' ' HIS . 18.8 ttp -89.87 146.99 24.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.57 124.24 9.49 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.611 0.719 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 137.2 34.92 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.292 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.0 m -120.69 177.99 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -107.87 -22.48 12.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -134.86 146.78 60.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -25.64 28.26 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.9 m -133.6 168.79 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.16 103.49 2.18 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.457 ' HA ' ' CE ' ' A' ' 80' ' ' MET . 2.8 mmt -41.68 -57.52 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.751 0.31 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -42.78 -42.68 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -62.95 -49.33 75.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.48 -54.48 46.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -48.64 -26.84 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 t -67.55 -45.48 75.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.41 77.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.7 mt -53.08 -53.95 19.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.23 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -62.71 -58.24 8.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.403 ' N ' HD23 ' A' ' 90' ' ' LEU . 4.3 mm? -66.93 -51.44 55.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 58.0 mtp -40.05 -43.34 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.8 p -73.41 -37.1 66.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.4 t -64.58 -51.03 64.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.1 m -119.3 151.79 37.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.474 ' O ' ' CE2' ' A' ' 99' ' ' TRP . 3.6 m -81.1 174.21 11.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.539 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 75.4 tttt -62.64 -38.4 90.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -81.82 -34.73 30.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -52.73 -29.75 28.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.539 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 7.5 m0 -68.39 121.37 80.34 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.546 0.688 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 167.53 24.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t -93.53 143.15 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 34.6 m -153.45 146.94 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -98.19 126.33 43.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 50.2 ttm -96.23 128.56 43.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -105.62 132.1 52.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.4 t -118.99 48.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.58 146.91 23.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.068 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.1 t70 46.27 49.0 13.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 43.69 31.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.7 m -119.5 142.7 48.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.9 t -104.85 121.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 15.2 m -133.53 104.42 6.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 62.3 t -69.52 95.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 25.0 mm -84.0 146.86 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -76.72 136.13 39.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -66.53 -38.14 86.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -68.22 -36.25 79.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -135.55 123.82 23.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -67.29 -42.57 83.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.81 41.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -134.29 86.41 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 53.9 t -72.2 99.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.7 -45.44 86.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 125' ' ' GLU . 52.9 t -145.37 135.89 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.446 ' N ' HG12 ' A' ' 124' ' ' VAL . 34.6 tt0 -117.91 110.5 17.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 4.6 t -126.14 147.55 49.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -118.48 142.22 47.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.458 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 6.9 m -51.05 -23.94 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -65.68 -47.14 76.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -73.54 -32.17 64.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.7 tt -50.01 125.58 12.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 63.3 p -100.74 -57.5 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.523 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 18.3 t80 -134.59 153.64 51.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 5.7 ptp -161.52 129.99 4.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -164.24 -175.57 35.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.2 t -107.55 136.32 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 111.169 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -75.86 -154.61 5.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -59.97 -40.61 89.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -91.89 152.25 20.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.425 HG22 ' CE1' ' A' ' 141' ' ' HIS . 31.3 m -80.27 -10.36 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 3.9 m80 -102.19 19.06 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.2 p -124.46 106.74 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -124.75 128.42 48.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -133.63 152.05 51.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.504 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 27.7 p90 -138.71 129.98 27.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 58.9 mt -96.0 132.96 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.3 ptm -120.93 171.71 8.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -114.68 111.31 21.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 14.5 p -90.61 -4.37 56.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 104.95 163.79 24.01 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 61.67 37.11 16.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 56.44 36.28 27.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -109.89 134.69 51.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -128.37 128.86 45.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.441 ' CD ' ' SD ' ' A' ' 71' ' ' MET . 84.3 mt-10 -111.51 117.89 34.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 11.9 t -94.31 109.79 21.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' HIS . . . . . 0.511 ' CE1' ' HG3' ' A' ' 71' ' ' MET . 89.2 m-70 -102.31 127.76 49.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 51.1 t -103.38 145.7 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . 0.431 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 44.0 m-85 -144.62 136.35 25.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 25.4 t-105 -92.9 122.01 34.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 77.4 m -111.92 151.68 28.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.542 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 16.6 mm-40 -141.91 151.42 59.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.649 0.738 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.0 Cg_endo -69.74 0.17 5.86 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.374 -0.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.472 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 4.5 p30 -168.57 174.95 6.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -97.8 29.69 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.139 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -79.58 -45.08 19.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.23 -67.02 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 91.3 t -38.94 -68.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.4 t -45.67 -57.62 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . 0.401 ' HA ' ' CG ' ' A' ' 173' ' ' GLN . 13.6 tt0 -45.55 -52.36 10.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -57.54 -30.75 65.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 93.4 t -78.07 -20.13 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . 0.401 ' CG ' ' HA ' ' A' ' 170' ' ' GLU . 14.2 mm-40 -57.53 -58.29 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.46 -24.98 66.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -52.72 -37.22 58.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' CYS . . . . . 0.478 ' SG ' ' CE1' ' A' ' 26' ' ' TYR . 98.4 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.2 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.854 0.359 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -62.22 -58.27 8.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -32.21 32.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 mtt -65.52 -36.58 84.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -83.21 -12.7 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -92.8 -59.58 2.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -111.71 -58.96 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.73 -168.96 13.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -133.14 112.65 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.903 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.55 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 19.5 mp0 -102.93 125.39 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 19.5 t-20 -56.45 127.87 72.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.685 0.755 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -34.72 14.03 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.719 2.279 . . . . 0.0 112.355 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.8 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.3 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.831 0.348 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -101.42 133.12 46.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -126.06 115.25 19.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -110.94 128.54 55.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -81.48 105.93 13.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.9 m -132.64 179.89 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -113.36 159.66 19.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -108.77 129.05 55.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 mp -98.76 -49.34 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 138.3 163.62 9.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.472 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 11.6 tmm? -84.18 138.67 32.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.472 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.5 OUTLIER -131.05 125.13 20.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.466 ' N ' HD11 ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.77 133.87 26.6 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.347 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.3 m -120.59 -178.76 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -108.65 -28.94 8.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -126.58 144.32 49.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.667 0.746 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -23.61 30.62 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.2 m -132.15 170.84 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.26 128.57 4.44 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.49 -47.89 79.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -54.41 -21.47 9.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.0 m -87.14 -34.28 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.6 tp -68.3 -62.82 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -50.55 -27.05 5.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.489 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 8.7 t -62.08 -47.09 86.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.15 72.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.8 mt -52.87 -55.12 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.84 -35.01 77.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 85' ' ' SER . 18.6 m-20 -59.19 -54.34 48.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.431 ' CD2' ' HB2' ' A' ' 72' ' ' LEU . 1.8 mm? -70.07 -40.68 74.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 56.6 mmm -51.08 -48.01 61.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 58.0 p -73.97 -23.91 59.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.9 m -67.25 -53.82 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.0 m -120.74 -177.38 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t -99.92 169.24 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.453 ' HA ' ' CE2' ' A' ' 99' ' ' TRP . 27.0 tttt -64.06 -27.69 69.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -81.74 -45.41 15.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -44.8 -35.53 2.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.453 ' CE2' ' HA ' ' A' ' 96' ' ' LYS . 11.4 m0 -56.65 109.68 1.86 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.562 0.696 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.6 40.59 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -67.58 139.25 56.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 28.5 m -148.06 145.26 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -94.07 121.7 35.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 46.3 ttm -88.24 129.22 35.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -105.96 135.78 46.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -128.11 41.24 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.75 152.21 22.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.3 t70 46.57 40.3 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 50.9 34.63 10.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.057 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.0 m -125.05 142.16 51.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.088 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.6 t -103.75 118.84 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 51.9 m -131.38 107.45 8.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 84.5 t -72.43 97.71 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.9 mm -90.49 141.96 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.478 ' CB ' ' OE1' ' A' ' 121' ' ' GLU . 2.0 m -70.89 170.03 13.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -93.42 -22.32 18.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -68.61 -36.3 78.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -147.04 166.06 27.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -95.78 -21.77 17.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -95.31 24.71 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.478 ' OE1' ' CB ' ' A' ' 115' ' ' SER . 15.4 tt0 -103.87 76.85 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -70.61 88.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 33.5 mt -66.55 -61.54 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 79.4 t -127.9 126.45 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -110.86 97.31 6.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.416 ' C ' ' HD2' ' A' ' 127' ' ' ARG . 5.7 t -113.04 150.28 32.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 126' ' ' CYS . 1.4 mpt_? -121.26 154.18 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.401 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 11.7 m -66.26 -36.67 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.415 ' CD ' ' H ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -67.68 -22.81 65.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -94.66 -21.92 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 133' ' ' PHE . 2.1 tt -56.57 152.56 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 43.9 p -115.78 -51.67 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.55 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 11.6 t80 -143.46 155.94 44.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 3.0 ptp -157.61 113.0 2.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -142.16 179.14 20.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 91.9 t -109.66 146.2 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.906 0.384 . . . . 0.0 111.123 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -78.76 -151.21 5.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -65.75 -36.86 84.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.327 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.47 156.13 19.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 165' ' ' ALA . 17.4 m -76.87 4.5 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.542 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 15.0 m80 -105.66 13.26 30.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.43 HG22 ' CZ3' ' A' ' 160' ' ' TRP . 2.9 p -125.57 108.41 11.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -120.92 131.92 54.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -141.78 152.0 43.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 9.2 p90 -145.05 140.42 28.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 51.3 mt -100.73 130.34 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 10.8 ptm -119.54 150.35 40.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -96.89 113.44 24.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 39.9 p -86.32 -46.73 10.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 153.02 163.75 11.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 59.02 41.67 20.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 56.86 40.89 28.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -110.77 138.9 46.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -130.6 120.04 23.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -105.61 124.64 49.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.8 t -100.44 112.96 25.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' HIS . . . . . 0.497 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 94.2 m-70 -103.1 131.2 50.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 52.6 t -108.99 147.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 30.0 m-85 -150.01 132.12 15.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.542 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 33.1 t-105 -86.93 122.98 31.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.36 154.66 25.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 49.7 mt-10 -153.48 153.76 29.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.599 0.714 . . . . 0.0 110.91 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.5 Cg_endo -69.8 -1.98 6.97 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.292 0.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 164' ' ' ASN . 4.2 p-10 -160.77 170.75 20.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -100.57 22.29 12.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -73.7 -52.04 14.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -61.22 -48.89 79.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.7 -62.39 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 49.7 m -49.64 -44.08 47.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -64.24 -42.95 96.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -64.05 -33.19 75.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 94.0 t -78.45 -35.26 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -71.54 -51.85 21.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -55.27 -41.57 72.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -50.61 -48.59 57.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 85.1 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.902 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.428 ' CD1' ' HB2' ' A' ' 166' ' ' ALA . 20.1 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.762 0.315 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 22' ' ' GLN . 4.2 m -51.43 -71.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.3 -32.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.1 mmm -76.4 -35.46 58.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 19' ' ' SER . 45.2 mt-30 -77.07 -15.3 59.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -87.67 -62.57 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -107.31 -51.4 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.96 -161.21 14.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -132.15 111.96 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.926 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -98.9 108.73 21.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 14.8 t-20 -59.96 112.17 5.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.74 30.45 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.386 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.7 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.736 0.303 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -106.58 126.51 52.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -117.08 116.76 27.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -111.71 140.59 46.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -93.63 93.03 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.1 m -119.16 -175.73 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -118.82 163.34 17.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -109.57 128.77 55.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.5 mp -97.96 -52.49 3.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.59 166.76 10.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.521 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.49 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 10.1 tmm? -85.6 148.84 25.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.49 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.3 OUTLIER -141.08 127.89 11.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.632 0.729 . . . . 0.0 110.864 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.467 ' N ' HD11 ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.82 124.87 11.48 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.31 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 m -104.88 177.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -97.89 -33.73 11.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -134.03 161.07 65.97 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.567 0.699 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -21.45 33.29 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.653 2.235 . . . . 0.0 112.374 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.2 m -137.56 170.21 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.19 113.77 2.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.3 mmt -55.83 -51.62 66.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -50.86 -32.64 20.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.6 m -74.91 -45.65 41.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.63 -53.34 59.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -49.19 -30.81 7.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.459 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 9.2 t -64.64 -43.03 94.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.6 -50.06 74.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.4 mt -54.34 -55.18 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -63.26 -35.07 79.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 85' ' ' SER . 20.7 m-20 -54.19 -62.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 93' ' ' SER . 3.2 mm? -63.26 -49.71 73.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 49.7 mmm -38.19 -52.23 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.8 p -70.59 -30.57 67.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' LEU . 47.5 m -65.56 -53.01 48.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.7 m -121.09 152.17 38.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.4 p -75.89 164.52 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.508 ' HG3' ' CZ3' ' A' ' 99' ' ' TRP . 48.5 tttm -59.45 -29.43 67.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -85.1 -28.9 25.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -58.52 -38.71 78.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.508 ' CZ3' ' HG3' ' A' ' 96' ' ' LYS . 3.6 m0 -57.44 118.64 26.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.11 41.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.315 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.1 m -71.9 129.37 38.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.2 165.79 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -113.04 119.12 36.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.0 ttm -88.28 134.73 33.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -116.45 130.38 56.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.9 t -114.05 35.07 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.21 151.59 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 t0 42.82 46.77 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.434 ' O ' ' CG1' ' A' ' 128' ' ' VAL . . . 42.79 37.36 1.04 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 111' ' ' VAL . 18.4 m -123.36 146.03 48.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.437 ' N ' HG23 ' A' ' 110' ' ' THR . 88.2 t -101.63 113.21 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.429 ' CG2' HD11 ' A' ' 114' ' ' ILE . 3.0 m -126.81 112.74 15.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.437 HG23 ' CE2' ' A' ' 159' ' ' PHE . 85.1 t -83.12 84.85 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.429 HD11 ' CG2' ' A' ' 112' ' ' THR . 20.4 mm -73.06 153.59 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.2 t -87.38 153.75 21.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.63 -43.77 58.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -68.21 -42.83 79.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -120.27 141.82 49.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -96.39 -24.46 16.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -103.09 39.79 1.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 122' ' ' VAL . 6.4 tp10 -104.29 -27.43 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 121' ' ' GLU . 7.2 p 34.63 54.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 122' ' ' VAL . 7.4 mt -36.02 -57.19 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 74.3 t -124.77 145.22 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -138.81 105.41 5.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.6 t -130.52 138.7 50.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -91.18 163.53 14.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.434 ' CG1' ' O ' ' A' ' 109' ' ' ALA . 19.7 m -71.75 -36.03 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -65.23 -36.39 84.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -73.82 -29.49 62.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.2 tt -52.27 133.85 34.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 89.5 p -94.46 -56.6 2.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -145.46 148.26 33.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 4.7 ptp -148.0 124.24 10.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -152.33 -178.45 27.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.0 t -114.17 138.2 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 111.155 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -74.5 -163.19 9.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -53.0 -44.81 67.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -85.81 156.74 20.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.3 m -84.41 -10.55 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.4 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 7.6 m80 -101.3 18.11 20.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 19.9 p -124.09 106.23 10.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -123.07 131.07 53.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -136.95 149.63 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -136.59 142.11 43.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 20.5 mt -103.94 134.17 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.5 ptm -132.35 164.4 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -96.47 132.6 41.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 80.9 p -116.58 -38.13 3.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.106 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -122.59 -141.12 5.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -69.29 -63.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . 0.512 ' O ' ' CZ ' ' A' ' 154' ' ' PHE . 16.8 mt-30 -128.25 14.6 6.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -76.29 145.24 39.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.512 ' CZ ' ' O ' ' A' ' 152' ' ' GLN . 3.0 m-85 -132.97 123.09 25.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.516 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 0.2 OUTLIER -108.84 120.19 41.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.54 111.36 23.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -102.64 126.92 49.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 41.5 t -101.01 148.13 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . 0.437 ' CE2' HG23 ' A' ' 113' ' ' VAL . 60.1 m-85 -146.78 137.02 23.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.4 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 57.1 t-105 -87.46 117.41 26.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 68.8 m -109.38 139.8 43.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -142.01 153.77 64.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 0.0 110.892 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.5 Cg_endo -69.85 -0.51 6.31 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.328 0.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.473 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 48.5 p-10 -174.03 155.16 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -66.62 -24.87 66.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . 0.428 ' HB2' ' CD1' ' A' ' 18' ' ' LEU . . . -39.05 -36.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -73.82 -46.84 42.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 89.8 t -76.79 -61.68 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 44.2 p -40.94 -38.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -72.21 -54.21 10.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.19 -43.6 42.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 67.3 t -69.56 -39.52 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -61.15 -45.14 95.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -58.76 -40.6 84.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.075 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.35 53.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 19.9 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.79 0.329 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -62.97 -63.21 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -46.55 -37.58 8.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.3 mmt -58.15 -44.61 87.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -77.58 -39.64 44.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -51.58 -67.71 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -124.49 -31.47 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.57 -138.41 13.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -155.56 117.07 3.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.523 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 15.6 mp0 -106.13 117.6 34.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -57.56 119.42 32.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.633 0.73 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -23.58 30.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.5 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.775 0.322 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -115.08 132.25 56.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -119.45 125.42 48.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -118.38 137.27 53.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.1 ttp180 -89.6 99.02 12.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.8 m -123.8 -179.21 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -118.29 157.61 26.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -101.26 130.61 47.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 mp -99.49 -41.45 7.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.54 156.05 8.5 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.434 ' HG2' ' N ' ' A' ' 72' ' ' LEU . 20.9 ttp -77.3 148.48 35.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.434 ' N ' ' HG2' ' A' ' 71' ' ' MET . 0.4 OUTLIER -139.02 126.52 13.22 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.644 0.735 . . . . 0.0 110.924 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 125.43 12.13 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.25 . . . . 0.0 112.325 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.0 m -115.18 171.67 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -104.68 -25.95 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.5 mtt85 -127.09 143.13 45.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -21.63 33.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.431 ' CG1' ' HB2' ' A' ' 133' ' ' PHE . 15.0 m -137.69 171.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.24 119.44 3.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.7 mmt -51.89 -54.65 26.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.734 0.302 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -45.1 -35.01 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.9 m -76.95 -32.88 57.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.5 tp -68.32 -61.91 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -53.34 -18.96 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.472 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 17.9 t -69.53 -45.71 68.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.48 -51.61 54.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 56.8 mt -51.92 -51.61 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -65.04 -35.4 81.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.8 m-20 -60.17 -55.11 37.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.32 -40.18 77.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 29.6 mtp -52.59 -45.02 66.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.402 HG21 ' N ' ' A' ' 93' ' ' SER . 2.2 t -80.48 -18.52 48.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.402 ' N ' HG21 ' A' ' 92' ' ' THR . 30.0 t -75.82 -47.22 26.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 m -123.67 179.71 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.464 ' O ' ' CD1' ' A' ' 99' ' ' TRP . 1.5 p -102.04 164.36 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.529 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 41.7 tttm -61.49 -32.22 72.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -82.17 -39.27 23.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -56.27 -17.96 9.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.529 ' CE3' ' HA ' ' A' ' 96' ' ' LYS . 30.1 m0 -74.48 116.59 54.66 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.518 0.675 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 143.7 51.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.384 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.5 m -76.67 137.12 39.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.1 m -142.99 150.34 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -97.12 118.67 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 59.9 ttm -89.37 132.22 35.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -109.09 141.8 40.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.458 ' O ' ' CG1' ' A' ' 106' ' ' VAL . 48.4 t -128.64 41.39 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.02 152.22 22.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t70 47.04 42.38 12.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 49.31 31.48 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.2 m -121.99 140.43 52.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 126' ' ' CYS . 93.3 t -101.9 112.34 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 36.9 m -124.27 116.1 22.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.144 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.1 t -81.55 98.26 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.1 mm -87.45 146.1 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.4 t -79.75 122.07 26.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -48.37 -21.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -59.71 -46.43 89.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -140.1 -176.52 4.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -109.45 -15.08 14.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -106.94 20.09 19.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -105.49 80.16 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.39 101.35 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mt -76.23 -59.39 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 43.1 t -126.01 121.17 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -105.59 95.04 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 111' ' ' VAL . 34.3 t -111.86 141.76 45.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -115.65 174.26 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.461 HG22 ' N ' ' A' ' 129' ' ' ARG . 29.6 m -83.53 -48.11 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.461 ' N ' HG22 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -57.63 -18.35 19.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -100.58 -25.11 14.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.406 HD11 ' CE ' ' A' ' 134' ' ' MET . 3.7 tt -56.8 140.43 47.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.8 m -102.58 -59.79 1.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.523 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 14.9 t80 -134.36 159.03 42.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.406 ' CE ' HD11 ' A' ' 131' ' ' LEU . 2.4 ptt? -161.67 124.74 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -154.57 -176.11 26.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.537 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 71.5 t -114.78 135.79 53.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.18 -163.64 0.45 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -59.97 -35.48 75.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -98.05 168.68 10.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 165' ' ' ALA . 35.4 m -90.77 0.74 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.463 ' HB3' ' CE2' ' A' ' 160' ' ' TRP . 21.5 m80 -107.63 13.72 26.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 31.8 p -125.43 113.72 17.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.415 ' CD1' ' OG ' ' A' ' 169' ' ' SER . 35.8 t80 -131.97 133.99 45.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -142.35 162.56 35.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.07 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -152.02 145.84 25.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.0 mp -102.72 140.77 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 17.1 ptm -129.94 147.3 51.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -93.79 103.17 15.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 70.0 p -88.71 25.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 75.83 163.24 13.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 62.64 42.7 8.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.826 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 45.86 33.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -103.53 131.37 50.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -123.33 122.28 37.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.527 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 2.4 mp0 -106.35 123.79 48.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.0 t -96.44 107.63 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -104.48 129.14 52.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 45.8 t -111.5 146.59 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -146.13 131.47 18.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.463 ' CE2' ' HB3' ' A' ' 141' ' ' HIS . 36.7 t-105 -83.27 129.85 35.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 22.0 m -121.83 147.91 45.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.514 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 1.1 pp20? -146.08 156.62 50.8 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.647 0.737 . . . . 0.0 110.872 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.9 Cg_endo -69.71 -1.33 6.51 Favored 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.316 -0.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.476 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 13.8 p-10 -160.28 173.76 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -102.16 29.52 5.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -81.48 -46.49 14.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -63.4 -59.71 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 54.6 t -48.61 -72.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' SER . . . . . 0.415 ' OG ' ' CD1' ' A' ' 143' ' ' PHE . 3.5 m -40.11 -51.55 2.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -49.79 -54.87 16.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -54.04 -42.42 69.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.48 -36.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -65.26 -61.14 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -54.45 -41.38 69.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.067 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -47.08 -41.17 16.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.406 ' CD2' HG22 ' A' ' 136' ' ' VAL . 17.1 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.838 0.352 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.1 p -56.52 -72.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -44.33 -25.82 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.3 mtt -78.32 -43.69 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -71.59 -35.75 70.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -63.39 -67.1 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -109.69 -54.85 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.67 -153.08 16.73 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.524 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.464 ' CD1' ' NE2' ' A' ' 173' ' ' GLN . 29.2 t80 -141.82 110.89 6.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -102.23 125.45 48.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 29.1 t-20 -66.36 119.76 64.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -123.79 132.42 53.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -116.47 125.12 51.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -116.79 156.45 27.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -106.43 100.77 10.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.6 m -124.47 175.84 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -112.07 153.92 26.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -99.32 129.28 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 mp -99.6 -39.61 8.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.57 166.42 12.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.531 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.472 ' HB2' ' CE1' ' A' ' 157' ' ' HIS . 23.3 ttp -83.07 151.33 25.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.469 HD11 ' N ' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -143.53 124.78 8.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 110.965 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.469 ' N ' HD11 ' A' ' 72' ' ' LEU . 53.7 Cg_endo -69.73 127.91 15.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.338 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.66 165.68 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.87 -26.72 16.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -133.41 146.46 60.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -24.28 30.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.238 . . . . 0.0 112.378 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.1 m -128.14 173.38 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.23 117.48 3.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.8 mmt -53.07 -54.67 32.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -47.91 -42.73 27.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.5 m -60.26 -37.93 81.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 tp -70.36 -61.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -42.5 -33.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.481 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 7.0 t -60.88 -43.14 98.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.31 -53.64 45.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 48.0 mt -50.45 -55.88 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.11 -37.3 82.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 85' ' ' SER . 20.5 m-20 -56.34 -61.97 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.89 -39.92 93.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 44.7 mmm -51.72 -42.29 62.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 71.4 p -79.7 -40.74 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.4 t -57.83 -53.61 56.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 m -109.23 -175.67 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 71.6 m -116.7 159.71 21.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.568 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 13.6 tttp -46.86 -47.13 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -69.53 -44.34 71.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -42.98 -40.47 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.568 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 4.7 m0 -59.94 111.0 3.27 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.542 0.687 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 143.91 52.44 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.643 2.229 . . . . 0.0 112.355 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.7 m -69.52 138.5 53.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.3 m -147.18 154.47 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -107.39 121.16 44.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 23.2 ttm -92.53 129.97 38.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 -100.09 131.49 46.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 26.3 t -118.87 50.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -101.75 148.34 25.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.069 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 t70 43.73 50.38 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 41.61 34.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.5 m -119.52 135.17 54.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.4 t -101.98 112.81 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.4 ' CG2' HG11 ' A' ' 122' ' ' VAL . 57.5 m -127.46 107.61 10.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 82.6 t -69.85 94.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 21.8 mm -81.48 147.44 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -78.93 140.26 38.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.06 -45.57 70.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.427 ' C ' ' OD1' ' A' ' 118' ' ' ASN . 13.6 pttm -62.14 -35.93 80.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 117' ' ' LYS . 5.4 m-20 -135.07 120.79 19.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -68.48 -42.46 78.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -81.65 41.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -133.21 84.9 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.4 HG11 ' CG2' ' A' ' 112' ' ' THR . 55.1 t -71.64 103.23 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.5 mt -72.49 -50.71 24.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 91.1 t -133.47 131.82 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -117.77 108.72 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 18.8 t -127.63 153.56 46.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.425 ' HB2' ' CD2' ' A' ' 130' ' ' PHE . 21.7 mmm-85 -123.08 134.66 54.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.47 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 3.4 m -45.77 -24.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -64.85 -45.37 86.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' A' ' 127' ' ' ARG . 62.3 m-85 -75.27 -33.44 61.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.415 HD21 ' N ' ' A' ' 132' ' ' SER . 2.4 tt -43.67 131.0 5.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.415 ' N ' HD21 ' A' ' 131' ' ' LEU . 27.5 p -102.73 -55.23 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -138.39 141.85 39.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 5.0 ptp -146.69 122.41 10.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -156.39 -177.2 29.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.535 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 137' ' ' GLY . 97.6 t -112.05 137.7 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.41 ' N ' HG11 ' A' ' 136' ' ' VAL . . . -75.93 -164.67 16.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -51.1 -45.4 61.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -84.95 152.8 23.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.831 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.412 HG23 ' CE1' ' A' ' 141' ' ' HIS . 34.9 m -79.58 -12.33 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.539 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 8.5 m80 -102.21 19.59 18.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.802 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.0 p -118.74 105.08 11.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.197 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -118.49 129.95 55.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -138.75 142.78 38.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 19.8 p90 -140.75 130.68 24.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 21.4 mt -96.88 124.67 49.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 9.2 ptm -114.03 163.0 15.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -99.45 120.29 39.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 64.6 p -101.81 -44.29 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -121.88 -142.91 6.42 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -71.52 -67.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.741 0.305 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -118.13 24.8 10.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -91.95 131.05 37.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -128.54 120.68 27.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -107.32 122.36 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.0 t -102.52 110.02 21.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 71' ' ' MET . 88.8 m-70 -104.88 132.42 51.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 38.7 t -106.98 144.89 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -144.16 131.0 20.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.539 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 27.5 t-105 -83.82 108.97 17.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 96.1 m -91.85 149.37 21.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.536 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 9.2 mm-40 -145.28 148.34 37.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.82 -0.49 6.26 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.313 0.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.439 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 31.2 p-10 -169.93 169.49 8.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -74.28 -29.85 61.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 170' ' ' GLU . . . -41.36 -37.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -69.35 -57.53 5.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 72.9 t -69.34 -62.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.5 p -41.7 -44.3 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 166' ' ' ALA . 7.8 tt0 -59.93 -58.92 6.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.08 -40.4 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.34 -64.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . 0.464 ' NE2' ' CD1' ' A' ' 26' ' ' TYR . 39.6 tt0 -45.79 -48.76 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -55.28 -45.07 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -48.25 -44.19 33.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 72.2 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.882 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.6 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.4 p -51.24 -61.62 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -53.92 -28.12 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.1 mtp -76.71 -36.5 57.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -78.74 -32.05 46.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -78.65 -60.89 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -97.5 -68.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.17 -151.03 17.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 173' ' ' GLN . 24.5 t80 -153.86 105.93 2.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.351 . . . . 0.0 110.924 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -98.33 127.37 44.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 38.6 t-20 -73.2 112.34 15.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.73 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -37.55 9.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.8 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.779 0.323 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -114.81 123.3 48.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -105.62 127.02 52.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -118.05 146.44 44.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -96.24 111.97 23.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.805 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.427 ' CG1' ' SG ' ' A' ' 161' ' ' CYS . 12.3 m -142.69 178.37 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -116.68 155.96 27.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -101.37 128.9 47.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.436 ' CD1' HG11 ' A' ' 158' ' ' VAL . 3.2 mp -98.86 -46.65 5.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.51 167.51 11.19 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.485 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 10.9 tmm? -88.79 140.82 29.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.485 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.3 OUTLIER -134.63 126.73 18.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 110.922 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' N ' HD12 ' A' ' 72' ' ' LEU . 53.2 Cg_endo -69.83 122.63 9.29 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.331 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.0 m -104.58 165.17 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.12 -27.85 19.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -132.09 150.07 75.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.584 0.706 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.452 ' HD3' ' CE2' ' A' ' 154' ' ' PHE . 53.8 Cg_endo -69.72 -26.96 27.24 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.748 2.299 . . . . 0.0 112.36 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.0 m -132.11 168.42 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.84 133.42 4.57 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 mmt -66.93 -59.79 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -43.87 -46.62 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -57.88 -40.02 79.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.96 -54.43 30.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -45.96 -30.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.496 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 12.3 t -63.54 -45.76 89.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.7 -56.86 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.112 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 32.6 mt -47.72 -56.97 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.65 -41.21 94.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.5 m-20 -50.47 -59.57 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.87 -43.11 84.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 45.0 mtp -51.39 -26.21 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.4 p -93.96 -43.98 8.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.2 m -56.96 -50.07 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.4 m -113.44 -178.58 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.402 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 10.8 m -105.39 166.84 10.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.567 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 38.9 tttm -63.59 -39.67 94.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.15 -40.72 37.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -47.77 -32.03 5.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.567 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 15.6 m0 -59.34 115.59 12.93 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.553 0.692 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 140.12 41.74 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.318 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.9 m -69.25 141.03 54.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 27.4 m -151.32 146.51 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -96.82 122.76 40.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 17.1 tpp -89.2 135.61 33.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -107.53 140.23 40.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.0 t -130.81 46.04 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.54 151.79 19.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.9 t70 42.77 48.27 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 45.24 36.73 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.05 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 111' ' ' VAL . 61.8 m -123.3 140.66 52.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.142 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.465 ' N ' HG22 ' A' ' 110' ' ' THR . 59.4 t -104.79 117.84 51.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 34.8 m -131.42 121.73 25.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.6 t -84.47 98.54 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.2 mm -92.2 146.61 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.4 t -75.11 158.65 32.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.02 -32.45 30.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -63.17 -49.33 74.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -123.04 173.14 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -110.63 -19.0 13.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -100.11 29.45 4.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -110.96 78.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 0.8 OUTLIER -73.62 85.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.91 -50.87 69.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.4 t -133.25 134.53 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -128.11 100.87 6.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.41 ' SG ' ' CB ' ' A' ' 147' ' ' MET . 2.4 t -121.58 144.95 48.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.443 ' CD ' HG21 ' A' ' 110' ' ' THR . 8.3 mpt_? -110.36 139.78 45.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.485 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.7 m -46.5 -26.95 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -62.52 -45.77 91.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -75.53 -27.98 58.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.463 HD21 ' CE ' ' A' ' 134' ' ' MET . 2.2 tt -48.33 124.97 8.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.0 m -94.92 -64.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -132.29 148.45 52.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.463 ' CE ' HD21 ' A' ' 131' ' ' LEU . 6.5 ptp -148.66 123.34 9.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -157.63 174.97 35.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.7 t -107.22 144.64 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 111.19 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.18 -160.84 22.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -54.61 -43.67 72.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.331 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -90.59 166.08 13.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.0 m -91.05 -12.62 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.165 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.529 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 2.5 m80 -96.09 19.16 12.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 13.7 p -125.09 105.19 8.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -123.77 128.29 49.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -139.05 152.72 47.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 23.4 p90 -144.35 134.53 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 66.8 mt -95.33 128.66 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.41 ' CB ' ' SG ' ' A' ' 126' ' ' CYS . 9.3 ptm -113.81 165.75 12.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.46 122.29 45.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 75.4 p -100.68 -42.24 6.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.48 -129.65 3.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -89.63 -66.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.311 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -109.66 24.89 12.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -103.33 131.95 49.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.452 ' CE2' ' HD3' ' A' ' 77' ' ' PRO . 3.1 m-85 -133.12 122.49 24.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -107.5 122.73 47.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.7 t -105.98 112.85 26.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -102.78 123.35 46.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.436 HG11 ' CD1' ' A' ' 69' ' ' LEU . 96.8 t -96.21 144.17 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -144.47 139.06 28.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.529 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 20.2 t-105 -99.17 127.68 45.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.427 ' SG ' ' CG1' ' A' ' 66' ' ' VAL . 71.0 m -115.92 151.87 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.546 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 52.3 mt-10 -139.82 148.01 53.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.888 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.7 Cg_endo -69.82 0.6 5.77 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.316 0.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.447 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 1.1 p-10 -175.08 178.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -100.8 40.45 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -83.71 -39.32 20.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -79.91 -42.0 25.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.61 -67.58 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 33.0 p -45.01 -38.96 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -68.92 -47.91 64.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -54.89 -41.29 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.25 -49.27 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . 0.559 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 25.8 tt0 -46.81 -49.52 19.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.02 76.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -52.37 -47.87 65.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' CYS . . . . . 0.434 ' SG ' ' CE1' ' A' ' 26' ' ' TYR . 13.8 p . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 19' ' ' SER . 17.6 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.861 0.362 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 18' ' ' LEU . 2.3 p -34.12 -48.23 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.839 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -55.03 -54.77 38.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 47.8 mmm -52.73 -38.23 60.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -73.42 -20.88 60.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -84.38 -59.12 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -114.84 -55.13 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.54 -140.23 14.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -158.53 119.96 3.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.878 0.37 . . . . 0.0 110.904 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -100.68 109.82 21.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -58.45 120.68 46.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.669 0.747 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -23.68 30.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.783 0.325 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -102.8 138.18 40.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -127.01 113.32 16.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -108.58 135.88 49.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -86.86 107.91 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.2 m -131.58 163.49 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -103.61 147.92 26.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.39 129.64 39.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mp -100.72 -47.94 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.964 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.59 162.5 9.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.489 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 11.1 tmm? -81.21 149.3 29.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.489 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.5 OUTLIER -140.17 123.62 10.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 119.95 6.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.428 ' CG1' HG23 ' A' ' 82' ' ' THR . 2.4 m -102.78 -180.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -103.32 -31.11 10.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -128.8 149.0 70.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.563 0.697 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.67 34.44 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.72 156.43 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 127.76 122.09 2.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.6 mmt -57.45 -60.51 3.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -38.76 -37.18 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.428 HG23 ' CG1' ' A' ' 74' ' ' VAL . 10.8 m -73.38 -45.15 56.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.33 -55.02 38.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -49.95 -26.36 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.486 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 8.1 t -70.16 -43.47 70.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.91 -45.35 94.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.1 mt -58.61 -53.6 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.67 -29.57 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 85' ' ' SER . 24.2 m-20 -63.67 -51.24 66.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.7 -46.95 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 59.6 mtp -43.61 -50.02 7.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 93' ' ' SER . 2.6 t -77.11 -19.6 56.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.424 ' N ' HG21 ' A' ' 92' ' ' THR . 3.4 t -71.5 -50.32 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.3 m -123.09 -179.49 4.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.1 m -96.41 158.27 15.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -60.34 -23.37 64.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.4 pt-20 -86.64 -41.45 14.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 19.6 m-20 -47.28 -38.23 12.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -55.02 110.32 2.12 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.572 0.701 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 138.23 37.32 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.677 2.252 . . . . 0.0 112.346 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.3 m -67.87 135.36 52.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.5 m -144.02 148.71 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -96.74 120.88 37.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 46.3 ttm -90.39 131.31 36.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -103.64 136.82 42.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.2 t -131.45 51.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -104.35 151.53 23.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 t70 49.28 35.82 8.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 56.09 29.89 15.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.6 m -117.7 133.77 55.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.185 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.0 t -102.09 112.64 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 17.6 m -129.28 114.11 15.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.5 t -78.02 95.27 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 9.9 mm -84.16 147.91 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -79.88 159.86 26.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -78.5 -51.88 9.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -65.7 -34.17 77.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -124.27 136.44 54.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -93.61 -34.13 13.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -93.49 32.59 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 122' ' ' VAL . 19.7 tp10 -93.78 -27.3 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.466 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 7.6 p 33.95 51.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 122' ' ' VAL . 7.8 mt -35.05 -55.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 84.1 t -130.44 132.88 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.403 ' HG2' ' NH1' ' A' ' 127' ' ' ARG . 11.3 tt0 -123.04 108.97 13.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.3 t -128.63 155.53 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.403 ' NH1' ' HG2' ' A' ' 125' ' ' GLU . 9.2 mpt_? -119.84 162.28 19.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.0 m -66.04 -20.63 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.12 -29.11 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -86.29 -27.02 24.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 132' ' ' SER . 2.4 tt -57.19 139.65 52.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.438 ' N ' HD23 ' A' ' 131' ' ' LEU . 4.0 t -109.74 -56.82 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -136.85 158.74 43.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 8.3 ptp -159.0 129.37 5.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -162.54 179.95 37.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 76.3 t -114.92 145.07 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.81 -160.94 24.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -55.67 -38.77 70.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.791 0.329 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -92.81 151.78 19.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 30.4 m -84.73 6.34 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.546 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 11.0 m80 -113.7 15.5 18.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.513 HG22 ' CZ3' ' A' ' 160' ' ' TRP . 1.3 p -125.59 108.58 11.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -125.22 129.62 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -134.73 155.28 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 8.8 p90 -140.96 134.07 29.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 22.1 mt -99.97 120.91 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.8 ptm -106.03 168.9 8.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.0 108.12 18.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 44.4 p -86.29 -37.25 18.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.96 171.73 12.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 22.5 t30 53.22 35.92 21.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 59.89 33.46 21.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 22.3 mmt-85 -98.59 143.97 28.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -132.23 119.58 21.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -106.59 115.74 30.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 8.4 t -96.48 108.38 20.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -103.21 132.49 49.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 18.5 t -107.69 144.44 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -144.3 124.78 13.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.546 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 15.9 t-105 -77.73 123.65 26.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 30.0 m -115.09 144.36 43.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.523 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 31.7 mm-40 -140.5 154.01 68.94 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.626 0.727 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.5 Cg_endo -69.7 -2.23 6.96 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.332 -0.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.449 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 22.8 p-10 -170.39 161.19 7.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -85.75 25.19 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -75.43 -44.26 45.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -70.46 -50.15 41.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 78.3 t -55.54 -63.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.2 m -44.87 -49.81 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -55.48 -59.26 5.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -47.07 -41.25 16.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.67 -51.64 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -46.27 -43.51 15.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.67 76.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -48.93 -51.35 30.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 31.0 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.925 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.845 0.355 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 m -53.81 -57.66 10.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 21' ' ' MET . 3.1 ptmm? -54.46 -39.88 67.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.46 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 69.5 mmm -68.39 -27.38 66.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -87.78 -20.3 26.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -92.11 -61.4 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -95.79 -68.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.65 -157.47 18.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -146.07 111.49 5.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -99.39 114.65 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 59.0 t-20 -60.75 123.99 77.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -45.61 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.371 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.443 ' CG2' ' HB1' ' A' ' 107' ' ' ALA . 7.1 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.775 0.321 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -101.72 136.86 40.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -119.66 113.81 21.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -108.34 129.12 55.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -80.81 103.52 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.0 m -130.89 165.37 31.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -101.89 163.73 12.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -110.59 129.85 55.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mp -99.1 -44.52 6.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 135.0 168.19 11.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.503 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 13.3 tmm? -87.72 139.02 30.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.503 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.4 OUTLIER -129.18 125.65 22.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.713 . . . . 0.0 110.923 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 123.6 10.24 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.729 2.286 . . . . 0.0 112.326 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 m -106.92 161.56 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -93.51 -26.77 17.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -125.65 144.1 47.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -24.54 29.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.4 m -137.63 164.06 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 120.63 118.1 2.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.0 mmt -50.48 -57.67 7.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -40.61 -43.73 1.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.0 m -63.4 -47.87 80.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.59 -53.05 62.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -57.72 -25.48 60.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.495 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 7.6 t -66.5 -37.51 85.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.34 -50.91 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 58.7 mt -46.33 -58.17 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.24 -39.6 79.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.1 m-20 -56.51 -52.32 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -67.96 -44.32 77.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 85.3 mtp -52.08 -33.81 41.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.8 p -81.97 -39.38 23.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.6 t -62.68 -51.28 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -119.49 156.98 29.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -90.35 159.66 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.548 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 31.0 tttt -48.27 -32.08 6.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -82.7 -42.56 17.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -48.3 -31.4 5.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.548 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 3.2 m0 -69.6 118.73 65.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 110.937 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 163.81 36.89 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -91.16 137.42 32.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.419 HG12 ' CD1' ' A' ' 123' ' ' LEU . 16.8 m -144.8 158.53 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -106.27 120.53 42.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 48.1 ttm -90.72 128.45 36.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -106.43 137.33 44.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 t -127.75 52.97 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.443 ' HB1' ' CG2' ' A' ' 61' ' ' VAL . . . -99.8 148.52 24.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.073 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.3 t0 45.25 47.46 10.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 45.17 36.1 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.412 ' CG2' ' HD2' ' A' ' 127' ' ' ARG . 76.6 m -122.79 143.43 49.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.9 t -106.52 116.69 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.8 m -129.75 98.93 4.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.0 t -68.87 90.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.8 mm -77.51 153.3 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 t -89.45 124.46 34.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.53 -43.41 62.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -53.38 -46.29 69.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -133.31 122.16 23.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.66 -31.35 72.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -89.76 37.55 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -129.24 98.96 5.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 97.4 t -85.24 102.76 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.419 ' CD1' HG12 ' A' ' 102' ' ' VAL . 8.4 mt -70.86 -48.28 54.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 69.1 t -136.89 131.49 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -116.93 99.16 6.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.6 t -122.65 151.94 41.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 129' ' ' ARG . 10.4 mmm-85 -122.04 135.78 54.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.487 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 15.8 m -40.16 -25.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 127' ' ' ARG . 36.9 mmt180 -62.15 -48.23 81.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -73.32 -36.57 66.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.428 ' C ' HD22 ' A' ' 131' ' ' LEU . 1.7 tt -44.69 118.57 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.5 t -91.49 -65.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -126.68 153.07 45.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 4.2 ptp -158.15 129.18 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -160.28 -170.68 25.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.53 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.4 t -118.17 140.17 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -77.25 -161.91 15.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -56.05 -39.73 72.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.94 152.21 20.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 35.4 m -82.95 -3.2 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.515 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 12.2 m80 -106.77 14.47 26.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 21.6 p -121.77 107.61 12.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -124.5 128.75 49.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -133.04 151.23 52.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 9.4 p90 -138.26 134.87 34.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 21.4 mt -99.82 127.63 52.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 6.8 ptm -118.3 165.75 13.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -101.56 120.62 40.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 67.4 p -98.97 -39.81 8.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.61 -138.13 3.88 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -73.24 -67.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -117.64 20.86 13.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -89.33 123.65 33.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -122.84 125.89 46.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -115.46 118.47 33.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.9 t -98.46 113.06 24.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' HIS . . . . . 0.461 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 89.0 m-70 -102.43 128.92 48.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 22.1 t -106.23 140.49 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 17.0 m-85 -140.54 138.38 34.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.515 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 21.8 t-105 -91.23 123.82 34.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 7.9 m -113.94 155.16 26.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.529 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 60.5 mt-10 -148.65 152.34 37.64 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.692 0.758 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.75 0.04 5.93 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.35 -0.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.479 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 42.7 p30 -169.89 173.23 6.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -96.51 27.05 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -78.08 -41.34 35.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -74.25 -44.98 50.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.82 -72.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.3 t -41.6 -41.61 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -64.28 -47.71 78.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.04 94.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.86 -44.02 92.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -61.9 -58.32 8.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -51.89 -34.44 41.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.24 75.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 82.3 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.467 HD11 ' CB ' ' A' ' 166' ' ' ALA . 18.5 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.87 0.367 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.8 m -64.07 -61.17 2.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 21' ' ' MET . 34.0 pttt -55.04 -29.46 57.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.416 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 96.2 mmm -72.96 -39.46 66.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -72.97 -27.9 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -79.55 -57.8 3.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -106.63 -60.14 1.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.13 -138.05 14.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -149.36 114.01 5.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.819 0.343 . . . . 0.0 110.951 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -101.97 110.58 22.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 47.9 t-20 -62.26 123.72 79.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.645 0.736 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.5 2.05 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.9 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.797 0.332 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 106' ' ' VAL . 17.1 mt-30 -105.87 119.43 39.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.45 151.5 49.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -142.93 150.97 40.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 65' ' ' ARG . 6.8 tmm_? -87.49 121.44 29.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.0 m -141.44 163.55 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -101.13 151.08 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -97.51 131.47 44.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 mp -100.94 -40.7 7.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.22 162.63 10.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.601 ' CG ' ' CE1' ' A' ' 157' ' ' HIS . 7.2 tmm? -81.46 150.44 28.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.457 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.4 OUTLIER -141.72 126.58 10.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.572 0.701 . . . . 0.0 110.903 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 134.99 29.27 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.9 m -122.07 178.36 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -110.83 -25.88 9.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -129.68 145.55 57.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 -28.16 25.63 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.323 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.6 m -128.41 175.64 9.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.22 107.84 3.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 mmt -45.4 -46.88 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -50.08 -49.7 50.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.7 m -56.99 -36.79 70.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 tp -67.49 -58.3 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -49.7 -27.48 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.414 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 44.8 t -66.39 -45.78 78.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.59 -55.55 22.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.403 HG22 ' CG2' ' A' ' 142' ' ' THR . 42.9 mt -46.86 -53.49 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -63.08 -35.57 80.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 85' ' ' SER . 24.1 m-20 -60.23 -53.51 56.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 93' ' ' SER . 3.4 mm? -66.57 -54.65 21.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 89.5 mtp -41.83 -38.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.9 p -78.76 -27.99 44.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 90' ' ' LEU . 6.9 t -73.97 -49.18 25.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.3 m -121.83 156.24 33.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.8 m -87.2 172.58 9.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.503 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 57.6 tttt -59.37 -34.74 72.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.85 -40.43 28.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -49.94 -33.27 17.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.503 ' CE3' ' HA ' ' A' ' 96' ' ' LYS . 5.5 m0 -67.97 113.93 17.64 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 164.06 35.93 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.704 2.269 . . . . 0.0 112.37 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.2 m -91.68 139.13 30.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.3 m -146.01 155.19 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 114' ' ' ILE . 57.7 m-80 -101.26 128.81 47.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 58.7 ttm -100.38 140.44 34.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -115.57 132.79 56.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 62' ' ' GLN . 36.2 t -122.3 42.52 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.91 151.91 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.084 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.8 t70 46.27 38.31 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 51.17 34.71 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.5 m -123.57 141.39 52.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.9 t -101.54 113.78 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.451 ' CG2' HG12 ' A' ' 122' ' ' VAL . 6.6 m -125.17 101.82 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 93.2 t -70.01 94.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.408 ' CG2' ' O ' ' A' ' 119' ' ' GLU . 8.6 mm -84.53 157.37 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.9 t -90.48 155.36 18.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -79.69 -44.44 20.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -35.66 75.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -138.55 128.88 25.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.408 ' O ' ' CG2' ' A' ' 114' ' ' ILE . 35.4 tt0 -72.13 -40.5 68.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.33 39.93 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -127.53 85.52 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.451 HG12 ' CG2' ' A' ' 112' ' ' THR . 77.2 t -75.26 94.07 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.4 mt -61.36 -44.49 97.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 77.1 t -142.24 122.43 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -104.16 106.03 16.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.6 t -134.59 158.03 45.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.549 ' NH1' ' CE1' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -128.88 -179.12 4.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.832 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 16.4 m -82.15 -21.67 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -49.66 47.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.549 ' CE1' ' NH1' ' A' ' 127' ' ' ARG . 23.7 m-85 -72.0 -26.02 62.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.26 132.54 50.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 88.9 p -97.77 -65.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -130.49 151.47 50.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 3.9 ptp -153.51 111.31 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -143.08 -177.75 18.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.9 t -110.19 146.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -85.95 -161.64 35.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -53.3 -35.3 59.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.331 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.05 161.36 13.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.1 m -92.92 -3.36 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.448 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 13.2 m80 -102.84 7.34 39.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.403 ' CG2' HG22 ' A' ' 87' ' ' ILE . 1.2 p -117.95 107.07 13.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -121.12 129.21 53.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -134.69 156.99 47.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 11.5 p90 -147.09 136.63 22.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.437 ' CG2' ' HB3' ' A' ' 154' ' ' PHE . 3.6 mp -95.72 117.69 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 6.3 ptm -110.65 155.57 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -97.59 112.85 24.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 40.9 p -95.03 -37.09 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -122.22 -140.72 5.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.469 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -71.82 -69.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . 0.526 ' O ' ' CE1' ' A' ' 154' ' ' PHE . 8.8 mm-40 -119.21 11.9 12.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.55 131.09 38.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.526 ' CE1' ' O ' ' A' ' 152' ' ' GLN . 1.6 m-85 -123.62 118.81 28.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.464 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 3.1 mp0 -105.47 119.43 39.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.3 112.67 24.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' HIS . . . . . 0.601 ' CE1' ' CG ' ' A' ' 71' ' ' MET . 85.2 m-70 -108.6 131.27 55.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 47.5 t -105.72 140.77 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -140.07 128.41 22.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.448 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 22.1 t-105 -82.01 122.84 28.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 71.5 m -110.81 148.39 32.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.528 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 5.1 mm-40 -142.54 151.78 58.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.8 Cg_endo -69.72 0.23 5.81 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.34 -0.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.478 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 29.1 p30 -173.25 169.01 4.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -88.93 8.95 26.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . 0.467 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -61.07 -43.45 98.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -72.99 -64.21 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 169' ' ' SER . 81.0 t -44.67 -60.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 168' ' ' VAL . 96.3 p -37.94 -49.27 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -66.81 -45.18 79.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.26 -31.69 33.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 24.5 t -83.15 -45.13 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -56.3 -62.88 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.17 -47.38 35.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -44.31 -37.5 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 60.1 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.845 0.355 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.9 m -45.04 -59.1 2.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -41.1 68.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 54.0 mmm -60.57 -40.43 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -78.53 -21.81 48.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -81.73 -68.54 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.85 -65.99 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.37 -166.66 16.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.538 ' CD2' ' HB2' ' A' ' 173' ' ' GLN . 4.0 t80 -132.45 112.31 12.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.881 0.372 . . . . 0.0 110.913 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -96.27 121.1 37.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 50.4 t-20 -60.6 122.28 66.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.71 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -50.93 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.631 2.221 . . . . 0.0 112.368 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.756 0.312 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -117.7 135.78 53.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -114.43 126.03 54.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -117.88 129.84 55.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -83.83 106.4 15.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.824 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.7 m -133.95 172.73 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -111.68 154.22 25.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -100.27 132.32 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mp -102.89 -44.91 5.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.16 173.29 12.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.485 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.476 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 9.4 tmm? -95.95 143.15 27.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.476 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.3 OUTLIER -131.22 129.87 22.51 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.654 0.74 . . . . 0.0 110.918 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.476 ' N ' HD12 ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.75 133.1 24.77 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.326 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.7 m -124.35 157.72 31.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -91.2 -28.44 17.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 mmm-85 -124.97 143.19 43.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -27.17 27.08 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.712 2.275 . . . . 0.0 112.359 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 133' ' ' PHE . 16.2 m -130.36 170.49 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.17 119.0 2.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.0 mmt -52.22 -63.31 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -41.99 -43.0 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.2 m -60.47 -46.85 88.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.45 -58.11 9.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -46.97 -23.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.488 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 10.9 t -69.26 -40.45 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.26 -54.67 18.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.1 mt -47.26 -58.18 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -58.49 -42.83 88.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 85' ' ' SER . 19.3 m-20 -50.31 -61.31 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 93' ' ' SER . 4.3 mm? -62.08 -52.8 62.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 48.8 mtp -40.13 -39.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 35.8 p -82.09 -31.23 30.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 90' ' ' LEU . 28.2 t -63.51 -53.87 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.3 m -122.22 164.26 18.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.492 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 1.1 t -81.66 175.29 10.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.469 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 53.5 tttm -69.52 -30.8 68.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -81.21 -42.26 21.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.22 -36.23 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.492 ' NE1' ' O ' ' A' ' 95' ' ' SER . 7.1 m0 -60.5 114.64 10.66 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.595 0.712 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 155.58 65.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.724 2.283 . . . . 0.0 112.369 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -82.99 142.17 31.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 35.9 m -151.54 145.63 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -94.12 123.62 37.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 18.7 tpp -94.88 133.15 38.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -108.79 137.99 45.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.482 ' O ' ' CG1' ' A' ' 106' ' ' VAL . 63.7 t -126.8 47.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.74 150.91 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t0 44.68 45.21 7.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 46.8 35.56 3.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.6 m -122.0 140.76 52.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.4 t -101.85 117.0 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.9 m -130.24 110.21 11.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.4 t -74.55 90.37 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.2 mm -78.84 155.69 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 75.6 p -78.39 168.84 19.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -87.47 -63.27 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -53.49 -43.62 68.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -110.12 164.68 12.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -110.51 -40.94 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -83.17 38.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -120.98 87.72 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 94.2 t -76.99 91.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.3 mt -62.69 -49.28 75.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 69.8 t -136.69 119.82 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -106.93 111.98 24.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.4 t -139.45 146.93 40.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -114.78 149.15 37.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.436 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.8 m -48.79 -25.65 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -64.89 -46.62 80.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -67.18 -40.01 86.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.2 tt -39.85 136.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 77.9 p -109.61 -52.66 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.4 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 28.1 t80 -147.63 145.96 29.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 134' ' ' MET . 0.0 OUTLIER -135.35 138.92 43.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -160.34 170.94 36.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 137' ' ' GLY . 99.3 t -120.82 143.65 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 111.129 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.462 ' N ' HG13 ' A' ' 136' ' ' VAL . . . -82.15 -176.64 51.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -48.2 -40.54 24.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -92.17 128.2 37.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 165' ' ' ALA . 35.1 m -62.25 -12.65 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 8.7 m80 -89.66 15.89 8.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 80.6 p -125.5 121.35 33.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.417 ' CZ ' HG21 ' A' ' 172' ' ' VAL . 54.8 t80 -134.01 128.26 33.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -134.66 148.94 50.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 6.3 p90 -146.02 133.4 20.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 56.0 mt -95.49 135.84 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 5.8 ptm -124.46 159.87 29.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.5 114.58 26.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 63.5 p -93.41 -42.89 9.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.2 -127.66 2.93 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -91.72 -63.76 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.757 0.313 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -114.88 20.99 14.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -99.71 126.73 45.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -125.34 125.06 42.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -112.53 118.72 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.8 t -101.69 112.8 25.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -102.77 131.43 49.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.92 148.57 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -146.11 139.43 25.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 50.1 t-105 -93.85 121.93 35.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 3.3 m -108.94 161.51 15.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.536 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 26.9 mt-10 -160.99 152.22 15.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.3 Cg_endo -69.79 -0.31 6.15 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.355 0.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.466 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 53.1 p-10 -166.1 162.28 17.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 140' ' ' VAL . . . -92.35 30.34 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -79.15 -47.41 16.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -66.77 -44.78 80.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 170' ' ' GLU . 96.9 t -67.4 -73.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 168' ' ' VAL . 17.8 p -34.63 -34.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 168' ' ' VAL . 5.9 tp10 -78.33 -52.65 8.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -55.69 -13.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . 0.417 HG21 ' CZ ' ' A' ' 143' ' ' PHE . 57.7 t -87.76 -66.15 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . 0.538 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . 15.4 pt20 -54.1 -50.22 67.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' A' ' 173' ' ' GLN . . . -48.67 -40.93 29.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.91 86.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 74.8 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.843 0.354 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 m -41.71 -66.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -41.13 -38.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.2 mtp -71.14 -45.12 64.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -63.12 -32.47 73.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -84.03 -60.79 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -94.52 -58.63 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.21 -144.09 15.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 173' ' ' GLN . 3.5 t80 -153.55 107.8 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.35 . . . . 0.0 110.927 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.549 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 9.4 mp0 -102.85 136.08 43.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -91.16 107.56 22.13 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -30.68 21.94 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.274 . . . . 0.0 112.332 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.6 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.408 ' CG2' ' HB3' ' A' ' 107' ' ' ALA . 2.7 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.82 0.343 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -103.15 120.0 39.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 145.29 51.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 6.4 m-85 -126.49 -179.09 4.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.7 ttp85 -118.86 104.98 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.3 m -129.43 177.2 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -114.77 153.64 29.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -97.38 133.09 42.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 mp -102.24 -41.62 6.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.88 173.71 13.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.453 ' HG2' ' N ' ' A' ' 72' ' ' LEU . 17.8 ttp -93.94 147.15 23.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.453 ' N ' ' HG2' ' A' ' 71' ' ' MET . 0.4 OUTLIER -138.97 128.46 14.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.663 0.744 . . . . 0.0 110.905 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.438 ' N ' HD11 ' A' ' 72' ' ' LEU . 54.2 Cg_endo -69.75 130.48 19.42 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.34 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.9 m -117.69 159.71 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.32 -30.14 18.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -130.87 145.11 56.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HD3' ' CE2' ' A' ' 154' ' ' PHE . 53.2 Cg_endo -69.8 -17.74 37.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.7 m -136.21 166.3 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.129 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.98 113.92 2.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.4 mmt -47.08 -55.32 8.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.766 0.317 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -47.78 -43.6 27.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.5 m -58.24 -40.47 81.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tp -68.18 -61.32 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -43.48 -33.8 1.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.424 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 21.3 t -63.71 -44.78 92.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.31 -54.3 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 37.1 mt -49.07 -55.8 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -60.63 -37.73 82.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 85' ' ' SER . 19.6 m-20 -56.06 -54.18 48.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 93' ' ' SER . 4.2 mm? -67.88 -53.38 27.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.473 ' SD ' ' CH2' ' A' ' 99' ' ' TRP . 76.6 mmm -42.23 -40.54 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.3 p -75.48 -30.4 59.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 90' ' ' LEU . 10.5 t -60.51 -55.09 37.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 m -125.56 -179.7 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.489 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 24.3 p -92.06 177.81 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.561 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 29.7 tttm -72.09 -27.26 62.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -87.59 -27.02 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.52 -22.43 66.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.561 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 6.9 m0 -72.12 122.21 86.74 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.572 0.701 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 154.72 67.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.8 p -83.4 128.44 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 27.5 m -140.82 153.37 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -105.51 132.58 51.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.7 ttm -103.33 128.14 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -99.54 141.4 32.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 t -131.55 48.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.408 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . . . -96.81 153.33 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.9 t70 46.6 41.53 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 51.19 32.37 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.443 ' CG2' ' HD3' ' A' ' 127' ' ' ARG . 24.9 m -121.49 145.55 47.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 42.1 t -108.47 119.69 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.5 m -130.11 117.36 19.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 88.3 t -83.14 92.03 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.0 mm -84.78 160.67 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.5 t -93.59 153.61 18.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -76.74 -24.56 52.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -69.11 -48.53 62.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -130.6 162.03 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -96.88 -18.12 19.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -101.78 31.43 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -116.26 79.94 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -75.83 92.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.05 -44.31 92.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 125' ' ' GLU . 97.1 t -139.55 138.49 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.446 ' N ' HG12 ' A' ' 124' ' ' VAL . 50.2 tt0 -126.35 102.66 7.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.6 t -121.27 155.88 33.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.443 ' HD3' ' CG2' ' A' ' 110' ' ' THR . 4.0 mmt-85 -123.86 146.3 48.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 131' ' ' LEU . 6.9 m -50.24 -56.59 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -46.64 -36.43 6.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.413 ' N ' ' HG2' ' A' ' 129' ' ' ARG . 12.0 m-85 -78.63 -24.88 45.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 128' ' ' VAL . 1.7 tt -54.54 124.51 16.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.6 p -90.32 -57.65 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.549 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 18.7 t80 -147.76 147.1 29.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 5.1 ptp -148.32 144.14 27.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -170.03 -176.57 39.76 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.524 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.46 HG11 ' N ' ' A' ' 137' ' ' GLY . 61.1 t -116.49 139.79 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.46 ' N ' HG11 ' A' ' 136' ' ' VAL . . . -76.85 -169.85 31.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.485 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -35.12 25.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -94.87 158.22 15.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.8 m -84.87 -18.82 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 14.1 m80 -91.98 19.31 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.4 p -121.73 104.46 9.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -123.32 128.06 49.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -139.47 169.46 17.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.512 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 7.8 p90 -161.94 138.26 7.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.01 140.7 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 20.0 ptm -132.58 156.14 47.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -94.62 115.46 27.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 80.8 p -90.11 -44.45 9.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -117.42 -116.9 2.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -108.6 -62.94 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.938 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -110.35 15.2 22.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -103.73 133.19 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.455 ' CE2' ' HD3' ' A' ' 77' ' ' PRO . 1.5 m-85 -131.61 129.45 40.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -110.92 140.63 45.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 4.2 t -110.85 120.93 44.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -109.77 126.61 53.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 159' ' ' PHE . 99.0 t -104.84 143.41 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . 0.442 ' N ' HG13 ' A' ' 158' ' ' VAL . 46.9 m-85 -141.07 131.99 26.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.561 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 58.5 t-105 -87.98 127.5 35.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 3.4 m -115.77 155.6 27.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.536 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 47.7 mt-10 -154.23 153.08 27.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.7 Cg_endo -69.73 -3.23 7.53 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.353 -0.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 165' ' ' ALA . 6.2 t30 -165.76 144.86 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . 0.518 ' N ' ' OD1' ' A' ' 164' ' ' ASN . . . -79.81 42.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . 0.467 ' HB3' ' ND2' ' A' ' 164' ' ' ASN . . . -87.07 -48.34 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -64.78 -42.82 94.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 63.4 t -63.81 -64.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 81.3 p -47.5 -30.16 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -76.58 -47.38 22.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -58.94 -40.83 85.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 73.4 t -66.24 -37.21 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . 0.567 ' HG2' ' CD2' ' A' ' 26' ' ' TYR . 39.1 mt-30 -55.72 -63.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -51.54 -39.02 56.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -45.47 -48.04 13.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.082 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.93 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.822 0.344 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -71.83 -50.71 27.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -62.83 -32.44 73.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.6 mmm -70.99 -30.86 67.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -83.01 -41.61 18.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -57.46 -62.09 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -117.5 -50.42 2.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.5 -158.59 14.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -134.99 103.24 5.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.912 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -89.5 108.74 19.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -54.11 122.36 35.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.596 0.712 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.04 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.321 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.1 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.807 0.337 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -120.7 124.36 45.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.21 115.92 30.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -107.44 132.21 53.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -82.95 95.93 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 31.5 m -125.72 162.48 28.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -102.46 154.23 19.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -98.61 130.11 45.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.406 HD21 ' CG1' ' A' ' 158' ' ' VAL . 4.5 mp -98.81 -41.69 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.66 164.09 11.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.2 ttp -82.77 145.38 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -137.78 127.4 15.15 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.607 0.717 . . . . 0.0 110.919 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.465 ' N ' HD12 ' A' ' 72' ' ' LEU . 54.1 Cg_endo -69.72 126.21 13.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 m -108.68 -179.27 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -115.75 -18.15 10.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -138.64 146.56 51.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.643 0.735 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -25.82 28.44 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.0 m -134.96 166.64 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.57 113.22 2.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 83' ' ' LEU . 2.3 mmt -47.49 -56.98 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -39.61 -41.62 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.2 m -65.79 -38.95 90.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' MET . 1.8 tp -69.43 -54.53 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -54.1 -22.69 11.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.467 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 13.4 t -74.95 -44.02 50.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.68 -50.28 63.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 58.5 mt -49.54 -51.91 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -65.16 -37.63 88.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 85' ' ' SER . 25.8 m-20 -55.2 -48.33 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.406 ' CD2' ' HB2' ' A' ' 72' ' ' LEU . 3.0 mm? -74.98 -46.33 36.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 67.2 mtp -51.35 -27.49 9.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.4 p -84.05 -44.12 14.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.2 p -61.36 -50.58 72.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.2 m -116.48 161.08 19.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.467 ' O ' ' CE2' ' A' ' 99' ' ' TRP . 1.1 t -91.37 -179.0 5.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.817 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.461 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 65.4 tttt -66.84 -33.03 74.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -79.68 -44.17 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -45.21 -33.96 2.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.467 ' CE2' ' O ' ' A' ' 95' ' ' SER . 9.8 m0 -64.42 112.4 7.65 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 138.47 37.93 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.686 2.258 . . . . 0.0 112.383 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 t -67.03 141.14 57.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 33.0 m -149.62 148.82 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -96.92 116.74 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 22.4 tpp -88.07 130.3 35.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -105.46 140.05 39.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.411 ' O ' ' CG1' ' A' ' 106' ' ' VAL . 38.7 t -130.54 41.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.35 149.83 23.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.7 t70 46.19 43.92 11.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 49.16 34.81 6.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.427 HG23 ' CG ' ' A' ' 127' ' ' ARG . 27.5 m -121.84 137.58 54.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 38.8 t -101.78 120.48 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.413 ' CG2' HG12 ' A' ' 122' ' ' VAL . 2.6 m -133.03 113.76 13.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.183 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 91.3 t -79.83 85.39 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.444 ' CD1' HG22 ' A' ' 122' ' ' VAL . 10.0 mm -77.23 145.92 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -79.56 136.45 36.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.08 -34.61 78.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -69.14 -38.39 78.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -133.65 121.23 21.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -67.18 -41.42 85.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -83.84 41.05 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -133.51 88.21 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.444 HG22 ' CD1' ' A' ' 114' ' ' ILE . 54.0 t -79.12 101.02 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.4 mt -67.75 -43.57 79.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 47.7 t -143.74 114.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -102.44 99.47 9.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.85 155.45 31.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.427 ' CG ' HG23 ' A' ' 110' ' ' THR . 41.6 mtt85 -120.25 171.31 8.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 19.1 m -77.18 -34.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -26.48 68.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -91.26 -26.37 19.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.69 136.88 57.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.3 t -103.74 -69.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -126.16 154.09 43.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 5.8 ptp -160.12 122.22 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -150.66 175.32 29.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.9 t -103.4 129.01 55.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.43 -160.75 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.455 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -55.34 -45.64 76.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -89.34 164.33 14.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.1 m -93.45 11.32 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.53 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 10.4 m80 -117.58 19.1 14.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.4 p -131.22 105.28 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -116.73 129.31 56.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -137.0 155.18 50.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.526 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 5.1 p90 -148.81 140.58 23.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.7 mp -98.19 127.33 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 8.5 ptm -112.66 161.24 17.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -103.71 105.31 15.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 48.4 p -83.81 -44.26 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.147 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 146.64 158.05 7.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 21.5 t30 66.09 34.44 6.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 61.77 27.72 16.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -95.22 137.57 34.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -124.3 117.29 24.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -105.56 118.15 35.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.1 t -96.7 115.26 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' HIS . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 159' ' ' PHE . 90.9 m-70 -106.44 126.33 52.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.406 ' CG1' HD21 ' A' ' 69' ' ' LEU . 21.6 t -103.43 138.94 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 157' ' ' HIS . 27.5 m-85 -139.6 136.84 34.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.53 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 31.7 t-105 -87.74 126.14 34.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 78.6 m -109.44 158.14 18.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.534 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 72.4 mt-10 -155.54 149.51 19.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.639 0.733 . . . . 0.0 110.866 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.1 Cg_endo -69.74 0.99 5.49 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.312 -0.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.476 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 33.4 p-10 -167.32 173.19 9.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -96.83 31.45 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -86.49 -48.24 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -68.96 -47.58 65.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 37.5 t -57.46 -64.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.8 m -43.75 -50.16 7.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -55.66 -51.77 66.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.58 -43.32 46.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 57.1 t -72.07 -41.67 67.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -60.16 -60.9 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.38 -41.16 28.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -53.36 -43.62 67.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 86.5 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.908 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.3 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.811 0.338 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 m -57.43 -55.83 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -60.38 -36.65 78.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 44.2 mmm -64.11 -42.02 97.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -75.42 -27.5 59.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -71.47 -64.98 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.8 -51.48 2.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.08 -161.37 12.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -127.07 98.16 5.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.924 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -83.48 105.83 14.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -58.85 118.85 32.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -37.26 9.33 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.4 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.798 0.333 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -100.41 136.33 40.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -120.43 119.6 33.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -112.83 150.32 31.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -98.96 103.15 15.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.2 m -130.51 167.3 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -109.9 154.67 22.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.2 130.07 45.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 mp -101.43 -40.1 7.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 131.89 168.54 12.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.539 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.407 ' HB2' ' CE1' ' A' ' 157' ' ' HIS . 19.5 ttp -91.98 145.24 24.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -135.98 126.68 16.75 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.593 0.711 . . . . 0.0 110.95 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.415 ' N ' HD11 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.71 130.84 20.1 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.273 . . . . 0.0 112.326 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.07 169.77 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.35 -30.26 13.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -125.55 150.63 68.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.553 0.692 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -25.57 28.24 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.652 2.234 . . . . 0.0 112.308 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.8 m -138.34 173.05 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.54 122.77 3.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 83' ' ' LEU . 4.3 mmt -54.3 -63.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.771 0.32 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -41.37 -36.06 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -72.03 -36.23 69.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 80' ' ' MET . 4.9 tp -72.35 -54.53 9.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -45.53 -28.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.465 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 19.8 t -65.19 -44.67 87.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.14 -57.4 11.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 45.4 mt -48.4 -54.99 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -61.65 -37.29 83.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.0 m-20 -56.79 -58.58 7.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.426 ' CD2' ' HB2' ' A' ' 72' ' ' LEU . 2.3 mm? -65.87 -43.93 86.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 32.2 mtp -48.0 -48.56 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.451 HG21 ' N ' ' A' ' 93' ' ' SER . 3.1 t -80.56 -21.18 41.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.451 ' N ' HG21 ' A' ' 92' ' ' THR . 39.7 t -66.05 -49.42 67.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.0 m -130.58 -177.24 4.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.4 m -104.64 163.63 12.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.562 ' HD2' ' CE3' ' A' ' 99' ' ' TRP . 18.7 tptp -53.34 -44.72 68.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -62.16 -40.22 95.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -53.8 -37.25 63.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.562 ' CE3' ' HD2' ' A' ' 96' ' ' LYS . 10.9 m0 -63.73 111.47 5.32 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.532 0.682 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 140.49 42.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.637 2.225 . . . . 0.0 112.366 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.9 m -70.67 133.95 47.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.8 m -143.01 149.46 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 114' ' ' ILE . 36.9 m-80 -95.09 123.87 38.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 58.9 ttm -94.2 129.57 40.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -104.3 145.6 30.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.6 t -134.45 50.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.47 152.51 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.2 t70 47.56 40.2 11.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 51.24 31.33 6.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 48.2 m -119.48 139.99 51.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 48.1 t -104.33 111.84 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.2 m -125.53 118.56 26.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.3 t -81.67 97.74 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 103' ' ' ASN . 4.9 mm -89.43 145.99 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.3 t -79.2 156.24 28.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -78.85 -36.35 42.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -54.78 -46.07 74.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -135.41 164.68 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -97.31 -21.72 17.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -98.1 31.02 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -114.83 77.8 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.407 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 0.9 OUTLIER -74.2 85.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.5 mt -59.47 -44.29 93.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 25.1 t -141.88 130.27 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -116.61 99.96 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.9 t -118.6 146.95 44.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -115.62 174.78 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 23.3 m -84.97 -24.06 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -74.87 -31.64 61.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -87.01 -30.98 20.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.5 tt -48.67 139.81 9.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.9 t -104.48 -62.03 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -136.78 152.33 50.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 4.0 ptp -155.65 123.99 5.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -150.27 -177.45 24.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.17 140.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -81.9 -170.17 44.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -43.63 -43.03 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.52 157.94 17.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 14.0 m -86.26 -18.43 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 163' ' ' PRO . 18.0 m80 -90.45 12.18 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 17.8 p -114.41 113.92 25.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -127.01 128.96 47.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -135.48 144.85 46.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 9.6 p90 -138.36 132.89 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 147' ' ' MET . 65.0 mt -96.67 133.56 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.136 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' MET . . . . . 0.404 ' N ' HG23 ' A' ' 146' ' ' ILE . 6.7 ptm -126.85 163.76 22.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -100.03 114.29 27.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' THR . . . . . 0.406 HG22 ' CD ' ' A' ' 155' ' ' GLU . 29.2 p -100.74 -14.11 18.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.154 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -144.36 -151.28 5.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -67.7 -56.95 7.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.337 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . 0.461 ' O ' ' CZ ' ' A' ' 154' ' ' PHE . 14.5 mt-30 -129.28 16.54 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 -81.64 146.74 29.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.461 ' CZ ' ' O ' ' A' ' 152' ' ' GLN . 3.2 m-85 -138.62 120.55 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.406 ' CD ' HG22 ' A' ' 149' ' ' THR . 70.0 mt-10 -107.01 123.85 48.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.4 t -101.95 111.37 23.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' HIS . . . . . 0.456 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 89.1 m-70 -106.4 125.83 51.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 23.3 t -102.1 145.4 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 48.3 m-85 -145.59 131.73 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.411 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 37.9 t-105 -80.46 115.62 20.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 69.5 m -89.91 163.01 15.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.55 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 30.3 mt-10 -156.53 140.89 11.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.667 0.746 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.8 Cg_endo -69.72 -0.04 5.93 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.319 -0.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -175.16 176.39 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 166' ' ' ALA . . . -73.16 -34.3 65.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 165' ' ' ALA . . . -36.53 -41.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -69.16 -61.16 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 169' ' ' SER . 60.0 t -64.22 -64.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 168' ' ' VAL . 91.3 p -36.88 -42.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -68.92 -48.87 62.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -56.12 -40.19 73.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.04 -49.26 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -58.1 -48.21 80.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -52.84 -49.53 65.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -52.61 -46.28 66.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.898 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.8 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.847 0.356 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.6 m -62.59 -58.25 8.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' NZ ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -58.57 -28.89 65.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.8 mmm -71.37 -42.41 68.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -78.54 -26.48 45.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -75.34 -62.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -112.13 -51.41 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.18 -155.27 16.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.467 ' CZ ' ' HG3' ' A' ' 173' ' ' GLN . 23.4 t80 -145.78 111.63 5.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.959 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -102.42 123.27 45.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 26.9 t-20 -56.5 127.5 72.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.665 0.745 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -47.58 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.7 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.8 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.79 0.328 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -95.74 122.89 39.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -118.41 113.68 21.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -112.08 130.99 55.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -81.02 106.1 12.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.43 ' CG1' ' SG ' ' A' ' 161' ' ' CYS . 14.9 m -132.28 164.77 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -101.25 149.2 24.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -96.76 129.6 44.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mp -98.19 -44.63 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.8 167.43 11.73 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.652 ' CG ' ' CE1' ' A' ' 157' ' ' HIS . 8.1 tmm? -88.19 146.3 25.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -134.87 126.77 18.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.603 0.715 . . . . 0.0 110.927 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.471 ' N ' HD11 ' A' ' 72' ' ' LEU . 54.0 Cg_endo -69.76 131.18 20.7 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 m -117.37 -177.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -120.09 -20.68 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.7 mtt85 -125.28 139.92 34.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.641 0.734 . . . . 0.0 110.851 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 -21.4 33.4 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.65 2.233 . . . . 0.0 112.356 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.0 m -141.52 165.71 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.46 128.58 3.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 83' ' ' LEU . 5.6 mmt -60.57 -61.65 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.763 0.316 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 80' ' ' MET . 36.6 t0 -36.42 -36.91 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.0 m -70.86 -47.21 60.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.194 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 80' ' ' MET . 3.4 tp -62.57 -56.04 21.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -47.73 -25.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.49 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 26.9 t -71.99 -42.89 65.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.47 -40.11 95.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.422 ' O ' ' CG ' ' A' ' 91' ' ' MET . 64.3 mt -62.33 -53.75 43.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -65.4 -32.99 74.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.3 m-20 -56.53 -63.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.458 ' N ' HD21 ' A' ' 90' ' ' LEU . 4.0 mm? -61.82 -33.04 73.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.422 ' CG ' ' O ' ' A' ' 87' ' ' ILE . 37.1 mmm -61.19 -28.26 69.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -90.8 -44.93 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.205 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -58.01 -48.1 81.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.0 m -115.28 179.48 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.1 p -107.84 169.49 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.561 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 38.0 tttm -61.91 -29.44 70.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -82.02 -47.64 12.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -40.41 -37.65 0.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.561 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 7.0 m0 -57.58 109.42 1.76 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.586 0.708 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 139.63 40.51 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.232 . . . . 0.0 112.333 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.401 ' HB3' ' CD ' ' A' ' 116' ' ' GLU . 57.7 m -67.35 136.27 54.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.7 m -147.76 159.68 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -107.15 128.54 54.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 19.3 tpp -95.87 131.78 41.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -106.76 129.23 54.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.449 ' O ' ' CG1' ' A' ' 106' ' ' VAL . 47.3 t -118.62 41.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.66 145.64 27.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.9 t70 45.11 48.8 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 45.54 35.02 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.3 m -121.5 139.48 53.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.6 t -105.14 120.27 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.3 m -134.93 108.39 7.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.165 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.5 t -71.5 96.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.1 mm -87.36 151.89 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 m -83.93 153.38 23.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.401 ' CD ' ' HB3' ' A' ' 101' ' ' SER . 16.0 mt-10 -80.03 -24.58 40.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -80.52 -38.41 29.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -129.56 129.72 44.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -77.72 -32.4 52.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -85.69 31.6 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -117.0 117.79 30.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.455 ' O ' ' CG1' ' A' ' 122' ' ' VAL . 55.0 t -103.02 72.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.0 mt -42.95 -44.82 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 87.0 t -145.89 130.59 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -114.97 100.9 8.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 127' ' ' ARG . 8.0 t -118.62 143.28 46.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.464 ' NH1' ' CE1' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -119.19 142.47 47.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.831 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.455 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 16.0 m -55.47 -18.26 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -65.3 -54.13 33.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.464 ' CE1' ' NH1' ' A' ' 127' ' ' ARG . 9.1 m-85 -73.4 -30.3 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.8 tt -42.78 127.65 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 46.7 p -101.78 -57.78 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -130.74 156.73 44.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 5.6 ptp -161.88 118.61 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -157.15 177.38 34.04 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.3 t -103.76 149.5 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -84.83 -160.55 32.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 139' ' ' ASP . 0.7 OUTLIER -54.95 -34.99 63.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.405 ' N ' ' HG2' ' A' ' 138' ' ' LYS . 5.5 m-20 -99.01 165.66 11.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 20.3 m -95.28 -2.18 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.519 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 35.0 m80 -105.08 14.79 28.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 22.7 p -125.5 106.59 9.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -118.0 128.11 54.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -136.85 150.99 48.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 14.5 p90 -141.27 138.84 33.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 63.3 mt -101.44 119.54 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 5.0 ptm -106.88 171.54 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -107.86 103.21 12.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 64.1 p -98.03 33.62 2.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 157.49 -154.1 25.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -70.56 -64.77 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -119.88 22.62 11.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -92.1 124.48 36.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -126.33 120.43 29.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -111.07 117.33 33.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.3 t -98.56 109.28 22.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' HIS . . . . . 0.652 ' CE1' ' CG ' ' A' ' 71' ' ' MET . 87.7 m-70 -102.87 131.95 49.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 27.9 t -105.68 144.95 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -141.76 140.79 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.519 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 40.5 t-105 -99.41 129.07 45.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.43 ' SG ' ' CG1' ' A' ' 66' ' ' VAL . 72.8 m -121.93 161.75 22.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 30.0 mt-10 -150.99 152.58 31.78 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.657 0.741 . . . . 0.0 110.934 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.9 Cg_endo -69.8 0.05 5.99 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.358 0.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.48 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 44.4 p-10 -168.53 171.85 8.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -100.0 21.57 12.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.25 -43.06 74.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -69.0 -65.2 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 89.1 t -45.36 -59.19 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 86.3 p -46.04 -41.95 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -69.91 -44.33 69.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -57.47 -43.85 84.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 93.9 t -70.04 -48.68 61.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . 0.467 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 12.1 tt0 -59.94 -61.82 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.21 -36.49 13.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -50.43 -42.59 54.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.894 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.5 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.861 0.362 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.8 t -55.88 -54.91 38.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -56.5 -36.45 69.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 mmt -63.41 -42.09 98.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -83.84 -0.14 49.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -91.34 -63.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -125.8 -44.56 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.2 -169.86 13.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -128.61 112.57 14.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -88.85 116.98 27.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -65.59 115.08 18.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -40.39 5.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.1 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.752 0.31 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -124.21 130.41 52.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -112.19 117.43 32.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -111.37 152.9 26.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 48.0 ttp85 -101.46 118.03 36.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.1 m -146.15 177.62 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -117.02 151.87 35.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -97.22 129.04 44.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.954 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 mp -101.25 -38.43 8.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.27 163.94 11.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.453 ' HB2' ' CE1' ' A' ' 157' ' ' HIS . 10.5 ttp -84.13 145.95 28.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.434 ' N ' ' HG2' ' A' ' 71' ' ' MET . 0.4 OUTLIER -136.94 125.2 14.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.584 0.707 . . . . 0.0 110.951 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 137.4 35.33 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 30.5 m -124.96 165.68 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -93.14 -28.65 16.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -127.23 142.12 42.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.701 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.14 36.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.646 2.23 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.8 m -135.77 169.14 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 113.2 121.84 3.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.473 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.0 mmt -56.85 -54.76 42.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -45.51 -31.18 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.3 m -76.56 -43.88 37.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.39 -53.78 47.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -54.0 -26.14 24.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.8 t -66.98 -40.32 87.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.33 -60.89 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 34.4 mt -41.09 -48.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.1 -36.96 83.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -59.3 -47.42 85.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 93' ' ' SER . 2.0 mm? -76.75 -47.77 20.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.0 mtp -39.21 -48.1 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 93' ' ' SER . 10.5 t -75.78 -27.89 58.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 90' ' ' LEU . 70.1 m -63.85 -49.7 71.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.807 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 m -126.86 155.29 43.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.513 ' O ' ' CE2' ' A' ' 99' ' ' TRP . 79.4 p -82.3 -177.53 6.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.503 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 21.7 tttt -70.89 -26.36 63.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -89.82 -25.67 20.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.41 -30.51 71.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.513 ' CE2' ' O ' ' A' ' 95' ' ' SER . 4.7 m0 -70.43 113.35 17.54 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.549 0.69 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 138.48 37.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.9 p -64.59 137.15 57.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.802 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.5 m -145.72 147.6 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -97.71 121.56 39.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 52.9 ttm -88.95 133.86 34.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -110.77 142.9 42.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.2 t -133.49 42.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.05 145.04 29.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 t0 43.0 53.61 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 42.63 39.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.9 m -123.55 137.12 54.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 47.3 t -103.78 113.14 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 62.2 m -128.23 110.29 12.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.8 t -75.9 99.73 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.8 mm -90.6 151.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -86.7 139.18 31.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -70.95 -24.4 62.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -26.49 61.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -159.76 114.72 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.67 -33.12 63.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -81.73 16.83 1.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -107.2 76.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 1.8 p -74.05 96.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.2 mt -70.33 -48.25 57.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 59.4 t -135.13 134.05 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -124.03 95.67 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.96 171.57 8.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 -131.4 -177.33 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.4 m -80.95 -37.75 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.7 mmt-85 -62.75 -37.47 86.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -72.28 -37.81 68.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.2 tt -46.23 148.58 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 96.4 p -111.79 -62.75 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -134.91 140.44 45.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.44 134.19 45.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -166.08 170.2 40.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.525 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 137' ' ' GLY . 90.3 t -111.07 140.94 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.383 . . . . 0.0 111.131 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.419 ' N ' HG12 ' A' ' 136' ' ' VAL . . . -72.97 -168.2 12.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -52.65 -39.85 62.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -91.13 158.05 16.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.3 m -87.52 0.33 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.562 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 31.2 m80 -109.18 13.67 24.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 18.1 p -121.58 105.85 10.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -115.78 131.0 57.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -135.22 149.42 49.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.532 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 10.5 p90 -145.35 134.42 22.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 28.8 mt -100.37 127.61 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 11.1 ptm -116.14 157.54 24.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -99.0 104.88 16.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 51.2 p -85.65 -48.07 9.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -113.38 -141.8 8.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -79.19 -68.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.32 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -113.55 27.77 9.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -97.5 136.81 37.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -131.65 122.86 26.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -117.08 119.74 36.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.7 t -98.14 115.87 29.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' HIS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 92.0 m-70 -102.76 126.76 50.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 159' ' ' PHE . 19.9 t -100.02 144.57 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 45.0 m-85 -148.23 129.81 14.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.562 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 31.6 t-105 -88.23 126.06 34.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 85.6 m -116.35 148.69 40.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 16.5 mt-10 -140.41 152.06 65.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.0 Cg_endo -69.73 0.19 5.84 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.372 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.479 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 26.6 p30 -173.22 169.8 4.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -96.59 33.06 1.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -80.6 -36.55 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -81.17 -52.58 7.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 53.8 t -50.97 -65.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 2.2 m -43.37 -48.11 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -57.07 -49.22 76.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -55.85 -37.9 69.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.96 -50.33 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -54.33 -63.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -45.98 -43.77 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.061 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -52.01 -39.71 59.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 79.8 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.827 0.346 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.2 p -60.82 -53.13 61.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 21' ' ' MET . 13.1 ptpt -59.61 -38.9 82.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.445 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 4.5 mtp -62.91 -44.13 96.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -70.23 -5.73 29.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -99.09 -57.24 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -107.47 -61.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.16 -150.39 17.9 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.514 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.457 ' CE2' ' HG3' ' A' ' 173' ' ' GLN . 24.3 t80 -148.49 109.8 4.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.934 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -101.79 109.83 21.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -56.51 119.21 26.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -42.76 3.11 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.301 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.7 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.43 ' CG2' ' HB2' ' A' ' 107' ' ' ALA . 7.2 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.785 0.326 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 106' ' ' VAL . 21.1 mt-30 -106.76 119.05 38.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.25 150.87 42.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -136.75 177.75 7.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -112.96 106.73 15.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.3 m -131.85 171.58 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -112.46 156.95 21.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.51 129.56 45.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mp -94.47 -56.4 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 147.96 152.21 5.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.446 ' HG3' ' CE1' ' A' ' 157' ' ' HIS . 16.9 ttp -76.02 138.77 41.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -133.49 125.63 18.73 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.618 0.723 . . . . 0.0 110.917 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.471 ' N ' HD12 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.77 133.12 24.77 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.375 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.3 m -119.01 173.71 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -104.43 -26.29 12.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -130.31 148.67 70.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -22.78 31.46 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.679 2.252 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.412 ' CG1' ' HB2' ' A' ' 133' ' ' PHE . 11.2 m -136.21 172.62 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.69 118.51 3.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.3 mmt -54.27 -51.12 65.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -50.77 -25.03 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.7 m -85.44 -44.32 12.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.75 -55.87 17.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -54.13 -28.02 37.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.96 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.491 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 7.2 t -64.43 -43.95 92.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.54 -47.02 71.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 65.4 mt -50.62 -54.19 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -65.79 -33.06 74.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 85' ' ' SER . 20.3 m-20 -58.9 -51.57 69.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.447 ' CD2' HD22 ' A' ' 72' ' ' LEU . 1.4 mm? -73.02 -43.47 62.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 55.0 mtp -47.89 -40.46 21.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.475 HG21 ' N ' ' A' ' 93' ' ' SER . 5.0 t -82.86 -22.61 34.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.475 ' N ' HG21 ' A' ' 92' ' ' THR . 28.0 t -74.04 -31.76 63.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -137.41 177.56 7.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.587 ' O ' ' CD1' ' A' ' 99' ' ' TRP . 70.6 m -102.0 166.5 10.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.825 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.528 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 55.3 tttm -67.32 -37.14 82.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -82.95 -24.97 32.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -69.48 -28.78 66.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 95' ' ' SER . 22.6 m0 -57.73 121.23 47.86 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.545 0.688 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 141.12 44.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.63 2.22 . . . . 0.0 112.378 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.7 m -75.39 140.42 42.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.6 m -150.81 144.62 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -92.76 130.02 38.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.1 tpp -96.53 146.2 25.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -117.82 133.36 56.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 62' ' ' GLN . 40.3 t -125.52 44.24 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.43 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . . . -90.1 148.84 22.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.9 t70 42.31 51.34 4.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 43.75 38.94 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.7 m -123.75 136.33 54.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 63.6 t -103.82 114.27 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.4 m -129.08 118.26 22.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.3 t -81.0 96.66 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.9 mm -87.29 143.34 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -78.04 160.5 28.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -81.09 -42.26 21.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -74.62 -35.54 62.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -125.75 128.47 47.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -85.17 -38.44 19.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -87.71 29.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -89.28 -33.53 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 123' ' ' LEU . 7.1 p 40.7 48.73 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 122' ' ' VAL . 12.7 mt -34.65 -45.19 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 125' ' ' GLU . 98.4 t -139.91 138.55 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.424 ' N ' HG13 ' A' ' 124' ' ' VAL . 24.4 tt0 -128.01 98.47 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.4 t -117.59 151.5 37.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -116.99 167.51 11.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 18.4 m -76.56 -35.36 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 130' ' ' PHE . 1.4 ppt_? -69.21 -7.14 33.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 129' ' ' ARG . 3.7 m-85 -110.23 -27.1 9.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.8 tt -53.89 133.95 42.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.3 m -98.67 -63.6 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.412 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 28.6 t80 -133.03 151.71 52.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 4.9 ptp -158.81 120.14 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -143.01 -161.53 8.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.5 t -123.94 140.98 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -82.49 -175.34 50.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -47.67 -34.81 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -98.31 148.39 23.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 165' ' ' ALA . 25.4 m -76.24 -7.14 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -104.36 12.97 32.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.1 p -116.41 112.63 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -124.23 132.18 53.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -137.85 142.26 40.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.069 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -138.26 141.23 39.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 20.6 mt -105.95 129.71 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.2 ptm -114.38 165.82 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -108.68 108.62 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 63.2 p -85.56 -43.52 13.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 144.77 153.96 6.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 71.53 44.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 51.57 30.01 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -101.58 135.73 42.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -129.41 124.5 34.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.416 ' CD ' ' SD ' ' A' ' 71' ' ' MET . 15.4 mm-40 -106.86 141.03 38.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.4 t -111.27 110.45 20.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' HIS . . . . . 0.446 ' CE1' ' HG3' ' A' ' 71' ' ' MET . 90.0 m-70 -105.4 126.49 52.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.409 ' C ' ' CD1' ' A' ' 159' ' ' PHE . 14.7 t -105.96 151.09 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.154 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 158' ' ' VAL . 49.8 m-85 -149.39 140.77 23.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.506 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 46.9 t-105 -90.44 117.19 28.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 79.6 m -104.01 155.34 18.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 82.2 mt-10 -154.74 151.43 23.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.671 0.748 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.72 -0.69 6.23 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.328 0.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.46 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 50.8 p30 -167.45 173.25 8.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -86.49 -12.68 48.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -47.98 -41.8 26.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.52 -57.95 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 169' ' ' SER . 83.8 t -61.31 -68.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 168' ' ' VAL . 35.3 p -35.12 -35.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 168' ' ' VAL . 25.3 tt0 -77.28 -57.6 3.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -46.18 -38.4 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 88.1 t -71.29 -54.34 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.143 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . 0.457 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 3.3 tt0 -51.92 -57.32 9.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -50.43 -36.13 31.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.95 95.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 94.4 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.437 HD11 ' CG1' ' A' ' 140' ' ' VAL . 17.7 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.804 0.335 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.0 m -65.57 -56.06 14.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 21' ' ' MET . 3.7 ptmm? -56.39 -34.16 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.465 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 12.0 mtp -67.17 -40.69 86.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -70.18 -35.77 74.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -62.44 -64.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -111.42 -57.24 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.03 -165.69 12.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -119.16 100.45 7.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.506 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 30.8 mp0 -94.24 115.77 28.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 18.5 t-20 -60.74 114.18 9.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.568 0.699 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 -28.09 25.32 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.434 HG21 ' N ' ' A' ' 62' ' ' GLN . 2.4 p . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.786 0.326 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.434 ' N ' HG21 ' A' ' 61' ' ' VAL . 19.1 mt-30 -116.02 138.91 50.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -121.26 115.32 22.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -106.86 133.43 51.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -83.0 101.25 10.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.0 m -127.97 171.61 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -113.21 152.62 29.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -99.08 128.95 45.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mp -99.49 -44.57 6.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 134.91 170.41 12.18 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 12.9 tmm? -92.01 141.79 28.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.494 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.4 OUTLIER -133.31 127.02 19.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.907 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.81 16.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.7 m -114.93 172.6 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -96.15 -28.14 14.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -135.48 149.25 68.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.631 0.729 . . . . 0.0 110.847 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -22.97 31.53 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.732 2.288 . . . . 0.0 112.345 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.5 m -130.1 170.51 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.23 102.2 2.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 83' ' ' LEU . 1.6 mmt -42.02 -61.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 80' ' ' MET . 2.9 m-20 -37.11 -42.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.6 m -66.38 -45.09 81.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 80' ' ' MET . 2.0 tp -59.25 -51.97 67.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -50.27 -32.27 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.42 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 10.4 t -62.71 -43.93 97.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.72 -54.49 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.062 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 56.7 mt -46.37 -56.02 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.44 -45.34 93.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 85' ' ' SER . 24.0 m-20 -45.82 -58.53 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.445 HD23 ' N ' ' A' ' 90' ' ' LEU . 4.3 mm? -66.41 -51.17 59.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 68.6 mtp -42.49 -40.19 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.2 p -77.05 -42.73 37.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.155 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -58.91 -52.5 65.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.3 m -118.31 157.17 27.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 m -86.46 162.21 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.506 ' HA ' ' CD2' ' A' ' 99' ' ' TRP . 23.4 tttm -54.26 -41.96 69.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -73.91 -33.05 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.86 -28.63 64.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.506 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 6.8 m0 -67.85 120.47 74.03 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.585 0.707 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 153.45 69.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.364 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.6 p -82.37 130.34 35.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.8 m -141.44 148.82 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -97.32 138.07 35.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 50.4 ttm -105.17 130.98 53.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.451 ' ND2' HG13 ' A' ' 114' ' ' ILE . 12.3 m-20 -104.33 135.1 46.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 t -124.61 38.19 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.35 151.16 24.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 t70 44.08 47.57 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 44.82 35.12 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 62.7 m -121.18 144.54 48.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.5 t -110.93 113.5 44.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.491 ' CG2' ' CG1' ' A' ' 122' ' ' VAL . 31.6 m -128.05 111.25 13.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 62.8 t -68.85 92.17 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.451 HG13 ' ND2' ' A' ' 105' ' ' ASN . 19.2 mm -82.59 139.91 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.428 ' CB ' ' HG2' ' A' ' 121' ' ' GLU . 1.2 t -78.49 147.58 33.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.417 ' CD ' ' O ' ' A' ' 116' ' ' GLU . 0.6 OUTLIER -73.05 -17.1 61.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -73.01 -25.79 61.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -164.38 149.61 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -75.5 -45.06 40.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -64.79 -15.24 61.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.428 ' HG2' ' CB ' ' A' ' 115' ' ' SER . 7.8 tp10 -70.72 104.05 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.491 ' CG1' ' CG2' ' A' ' 112' ' ' THR . 89.1 t -102.6 87.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.0 mt -58.61 -46.75 86.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 57.9 t -141.05 139.62 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -125.61 101.16 6.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.2 t -117.37 146.42 43.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -117.63 144.81 44.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.462 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 8.2 m -51.73 -20.02 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 18.6 mmt-85 -74.35 -34.86 63.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -86.44 -25.63 25.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.1 tt -56.79 126.81 28.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.2 p -98.38 -59.65 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.506 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 12.8 t80 -133.38 151.77 51.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 4.2 ptp -159.04 118.96 3.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -150.43 -172.99 20.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 137' ' ' GLY . 67.2 t -114.64 138.62 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 111.18 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.435 ' N ' HG12 ' A' ' 136' ' ' VAL . . . -82.0 -169.57 43.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -41.93 -53.13 3.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.75 0.31 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.46 160.55 26.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.437 ' CG1' HD11 ' A' ' 18' ' ' LEU . 31.6 m -92.07 -4.38 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.5 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 32.3 m80 -106.49 19.24 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.9 p -123.84 105.14 9.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -116.33 128.34 55.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -132.0 148.27 52.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 12.8 p90 -142.69 129.84 20.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 16.9 mt -97.71 131.88 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.9 ptm -120.79 166.27 13.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.91 115.11 29.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 30.1 p -107.19 39.18 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 69.35 158.73 1.84 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 152' ' ' GLN . 6.9 t-20 62.13 47.18 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.321 . . . . 0.0 110.89 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 151' ' ' ASN . 3.6 pt20 37.71 33.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -89.22 150.34 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -132.9 118.65 19.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -109.77 114.31 27.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.6 t -92.84 107.97 19.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' HIS . . . . . 0.468 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 94.2 m-70 -102.95 128.05 49.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 38.9 t -103.02 142.9 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . 0.475 ' CE1' ' CE2' ' A' ' 145' ' ' PHE . 35.4 m-85 -144.45 133.1 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.5 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 24.1 t-105 -84.96 124.81 32.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 69.7 m -107.61 162.56 13.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.537 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 23.4 mt-10 -159.37 150.11 15.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.641 0.734 . . . . 0.0 110.909 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.76 1.25 5.4 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.325 0.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.484 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 36.6 p-10 -174.51 158.48 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -64.74 -30.17 71.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -40.56 -35.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -69.45 -65.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 169' ' ' SER . 86.3 t -57.35 -64.15 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 168' ' ' VAL . 95.1 p -36.74 -47.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -61.32 -54.72 40.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.11 -39.16 59.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.11 -54.36 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -41.58 -56.14 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -54.59 -45.76 73.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -50.78 -44.85 58.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 98.5 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.922 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.845 0.355 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.5 t -57.87 -68.48 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -46.86 -27.41 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 75.9 mmm -75.94 -40.37 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -73.57 -18.95 61.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -89.68 -48.06 7.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.85 -63.21 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.96 -144.44 18.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.413 ' CE2' ' HG3' ' A' ' 173' ' ' GLN . 19.4 t80 -157.3 111.39 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 110.939 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -98.5 105.66 17.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -61.9 110.92 3.67 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -28.75 24.99 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.628 2.219 . . . . 0.0 112.385 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.44 HG21 ' CB ' ' A' ' 107' ' ' ALA . 12.7 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.81 0.338 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -130.3 139.91 50.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.21 120.41 35.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -113.02 153.05 28.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -100.28 109.59 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.6 m -137.97 167.07 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -106.65 158.29 17.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -101.36 128.97 47.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 mp -97.78 -49.46 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.06 164.32 9.84 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.434 ' HG2' ' N ' ' A' ' 72' ' ' LEU . 19.4 ttp -83.82 148.8 26.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.475 HD12 ' N ' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -139.37 128.17 13.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.587 0.708 . . . . 0.0 110.967 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.475 ' N ' HD12 ' A' ' 72' ' ' LEU . 54.2 Cg_endo -69.72 130.71 19.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.4 m -119.56 179.18 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -116.7 -22.3 8.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.3 mmt-85 -130.28 143.55 49.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.622 0.725 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -23.0 31.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.388 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.406 ' CG1' ' HB2' ' A' ' 133' ' ' PHE . 35.4 m -139.61 167.88 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.45 110.15 2.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.6 mmt -40.56 -57.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -38.69 -44.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.2 m -66.75 -49.97 64.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.3 tp -56.82 -51.93 67.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -62.57 -23.58 67.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.5 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 32.3 t -71.11 -42.85 68.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.2 -49.79 58.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.5 mt -50.89 -55.97 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -60.49 -35.69 76.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.5 m-20 -58.9 -56.34 23.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.56 -29.04 65.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.5 mtp -64.37 -34.83 79.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.435 HG21 ' N ' ' A' ' 93' ' ' SER . 4.0 t -91.69 -20.13 21.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.141 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.435 ' N ' HG21 ' A' ' 92' ' ' THR . 14.3 m -69.24 -52.83 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.8 m -119.0 -179.01 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.4 m -96.2 170.43 9.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.523 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 72.2 tttt -64.54 -36.82 85.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.94 -36.17 31.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -49.5 -25.06 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.523 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 7.9 m0 -73.82 115.66 44.36 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.533 0.682 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 145.5 57.24 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.6 m -71.33 142.32 50.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 30.9 m -152.29 143.54 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -93.23 126.57 38.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.0 tpp -96.1 136.71 36.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -110.57 147.85 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.0 t -133.86 27.57 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.44 ' CB ' HG21 ' A' ' 61' ' ' VAL . . . -70.66 143.9 51.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.6 t70 46.14 48.69 12.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 44.53 36.87 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.3 m -120.93 141.47 50.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.1 t -103.47 118.84 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.9 m -133.65 103.08 5.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.3 t -71.37 93.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.3 mm -83.25 154.14 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.2 t -77.55 165.58 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.42 -34.33 15.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -67.3 -33.41 75.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -140.71 162.41 35.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -101.36 -12.55 18.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -103.42 19.11 20.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -106.74 78.32 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.49 103.79 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.11 -43.88 32.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 80.4 t -137.26 126.54 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -114.32 94.22 4.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.8 t -121.44 155.17 35.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -127.77 173.07 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 17.7 m -73.3 -20.42 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -74.36 -21.9 59.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -103.78 -19.91 14.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 131' ' ' LEU . 2.4 tt -66.24 125.75 26.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.0 m -97.6 -63.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.406 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 13.6 t80 -125.9 152.68 45.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 2.5 ptt? -158.82 107.89 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -135.55 -174.07 13.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.3 t -121.71 134.01 66.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 111.094 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -68.53 -169.63 5.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -49.29 -44.9 44.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -87.29 153.89 21.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.847 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 165' ' ' ALA . 13.1 m -85.97 8.26 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.51 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 7.4 m80 -113.05 14.07 19.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 3.5 p -122.57 109.37 14.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -121.35 129.42 53.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -139.05 148.15 42.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 10.7 p90 -140.9 137.02 32.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.4 mt -101.0 123.63 54.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.6 ptm -115.48 169.05 9.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -109.74 125.12 52.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 59.8 p -104.01 -39.77 6.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -125.93 -138.27 4.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -75.96 -66.37 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -118.09 15.92 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -88.25 129.2 35.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -128.38 133.48 48.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -113.7 117.16 30.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.22 110.98 22.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -106.1 133.09 51.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.6 t -112.77 144.05 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -144.64 139.7 28.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.51 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 16.5 t-105 -92.66 120.17 32.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 34.5 m -105.35 157.53 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 35.3 mt-10 -151.59 150.53 26.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.89 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.4 Cg_endo -69.71 0.5 5.68 Favored 'Cis proline' 0 C--N 1.34 0.129 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.331 -0.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.474 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 32.4 p30 -164.69 179.04 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -103.58 29.17 5.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -83.2 -60.01 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -54.23 -24.18 17.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 88.9 t -86.18 -62.86 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 79.9 p -53.37 -32.16 48.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -76.4 -50.91 12.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.26 89.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.13 -38.64 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . 0.413 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 29.9 tt0 -59.57 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.85 -43.2 38.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -44.36 -50.85 8.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 79.9 m . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.887 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.75 0.309 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.1 m -63.79 -39.81 95.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' CG ' ' N ' ' A' ' 21' ' ' MET . 0.1 OUTLIER -69.62 -42.03 74.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.403 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 24.0 mmm -61.32 -30.83 70.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -82.9 -27.46 30.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -75.85 -68.55 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -102.86 -64.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.63 -146.24 17.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -147.5 117.41 7.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 110.949 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -102.64 107.76 18.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -64.57 111.33 5.44 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.667 0.746 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -43.18 2.88 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.722 2.281 . . . . 0.0 112.365 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.2 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.785 0.326 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -105.06 131.93 51.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.79 123.05 42.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -115.04 153.23 31.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.4 ' HB2' ' NH1' ' A' ' 65' ' ' ARG . 15.5 ttm105 -105.86 97.86 7.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.5 m -124.17 160.93 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -99.36 154.02 18.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.48 128.78 45.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.973 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mp -93.71 -51.03 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 146.48 166.4 12.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.457 ' SD ' ' CD ' ' A' ' 155' ' ' GLU . 11.1 ttp -87.72 142.39 27.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.436 HD11 ' C ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -140.43 127.04 12.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.568 0.699 . . . . 0.0 110.944 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.428 ' N ' HD11 ' A' ' 72' ' ' LEU . 53.4 Cg_endo -69.78 152.27 69.17 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.706 2.27 . . . . 0.0 112.334 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 28.8 m -136.51 174.25 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -111.39 -18.22 12.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -131.42 143.25 48.45 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.566 ' HD3' ' CE2' ' A' ' 154' ' ' PHE . 53.5 Cg_endo -69.73 -23.74 30.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.622 2.215 . . . . 0.0 112.366 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.6 m -138.3 175.62 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.7 124.97 4.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.6 mmt -54.9 -62.4 1.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -42.51 -42.98 3.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.3 m -63.91 -39.46 94.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.45 -62.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -44.94 -30.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.496 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 16.7 t -56.74 -44.54 81.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.03 -50.43 62.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 71.6 mt -51.22 -56.6 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.53 -34.93 73.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 85' ' ' SER . 19.0 m-20 -60.02 -59.12 5.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 72' ' ' LEU . 1.9 mm? -66.22 -38.36 87.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.6 mtp -51.7 -47.77 63.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.407 HG21 ' N ' ' A' ' 93' ' ' SER . 3.8 t -80.37 -18.85 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.407 ' N ' HG21 ' A' ' 92' ' ' THR . 38.0 t -69.29 -54.57 13.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.0 m -119.95 -177.66 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.415 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 28.8 m -95.04 168.59 10.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.817 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.521 ' HA ' ' CH2' ' A' ' 99' ' ' TRP . 72.7 tttt -67.08 -33.43 75.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -87.07 -29.64 21.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -57.07 -23.51 47.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.535 ' CZ3' ' CE3' ' A' ' 160' ' ' TRP . 10.5 m0 -68.53 120.17 73.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.55 0.69 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 140.87 43.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.636 2.224 . . . . 0.0 112.325 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.1 m -72.49 137.93 46.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.7 m -145.16 155.34 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -102.73 125.67 49.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 48.7 ttm -96.35 132.88 41.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -109.63 140.16 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.6 41.75 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.6 149.21 25.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.5 t0 47.61 42.6 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 48.59 30.26 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.6 m -118.0 144.54 45.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.8 t -101.56 129.4 52.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.414 ' CG2' HG23 ' A' ' 122' ' ' VAL . 9.7 m -143.94 106.63 4.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 49.0 t -76.29 93.6 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 9.2 mm -82.25 152.35 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.2 t -87.73 131.49 34.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.86 -42.45 84.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -59.59 -42.08 91.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -131.44 120.33 22.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -66.32 -33.55 75.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -87.89 37.11 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -127.09 101.87 6.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.414 HG23 ' CG2' ' A' ' 112' ' ' THR . 55.7 t -90.72 88.51 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.9 mt -56.44 -37.71 70.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 77.5 t -149.93 127.86 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -113.12 103.25 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.07 149.99 48.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -113.46 176.15 5.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.8 m -81.33 -19.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -78.38 -24.24 46.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -91.89 -24.5 19.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.6 tt -58.33 126.75 28.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 78.4 p -96.81 -55.91 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -137.03 149.06 47.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 2.7 ptp -150.61 120.48 7.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -150.69 -170.8 18.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.1 143.98 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 111.174 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -78.61 -169.59 36.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -50.38 -34.14 23.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.76 159.74 14.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 31.5 m -88.11 -1.45 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 22.9 m80 -106.88 9.66 30.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.01 109.22 15.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -122.49 132.58 54.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -137.57 149.18 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.452 ' C ' ' CD1' ' A' ' 145' ' ' PHE . 6.6 p90 -138.63 143.25 39.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 56.8 mt -105.77 128.02 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.9 ptm -118.86 161.49 20.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -98.98 108.27 20.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 81.9 p -83.17 -43.53 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -119.21 -145.3 7.6 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -72.24 -56.19 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.758 0.313 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -124.02 11.4 8.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -83.45 133.55 34.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 77' ' ' PRO . 1.4 m-85 -123.36 122.07 37.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.457 ' CD ' ' SD ' ' A' ' 71' ' ' MET . 3.1 tp10 -105.35 124.08 48.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 1.8 t -97.99 131.83 44.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' HIS . . . . . 0.496 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 72.0 m-70 -129.11 132.6 47.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 13.6 t -111.18 150.41 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 36.3 m-85 -150.84 144.48 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.535 ' CE3' ' CZ3' ' A' ' 99' ' ' TRP . 25.8 t-105 -95.15 121.85 37.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 28.0 m -102.98 159.91 15.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.536 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 50.1 mt-10 -157.12 148.05 16.48 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.4 Cg_endo -69.79 1.05 5.52 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.329 0.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.494 ' N ' ' OD1' ' A' ' 164' ' ' ASN . 5.1 p-10 -168.16 170.55 10.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -83.36 -13.32 55.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.07 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -51.34 -43.78 61.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.074 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -60.74 -58.6 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 169' ' ' SER . 74.1 t -65.49 -69.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 168' ' ' VAL . 66.3 p -35.32 -34.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 168' ' ' VAL . 7.2 tp10 -74.98 -52.44 11.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.58 -34.44 58.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 92.5 t -72.63 -52.81 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -47.64 -46.25 28.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.16 94.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -52.63 -46.28 66.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.896 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.766 0.317 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -51.2 -49.97 59.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.8 pttt -47.32 -34.74 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.2 mtp -75.52 -41.31 55.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -70.13 -21.88 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -87.44 -53.99 4.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -114.54 -61.31 1.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.69 -151.86 17.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.56 ' CE2' ' HG2' ' A' ' 173' ' ' GLN . 1.2 t80 -141.01 114.25 8.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -104.09 107.91 19.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 45.1 t-20 -72.78 113.19 19.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.605 0.717 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -44.53 1.98 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.649 2.232 . . . . 0.0 112.335 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.4 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.854 0.359 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -119.93 139.93 51.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -127.81 115.9 19.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -113.45 138.6 49.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -87.78 105.48 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.8 m -129.04 172.99 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -112.34 149.72 32.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -96.0 129.93 43.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 mp -98.35 -53.15 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 143.28 163.96 10.04 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.536 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.438 ' HB2' ' CE1' ' A' ' 157' ' ' HIS . 14.5 ttp -84.71 146.21 27.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.469 HD13 ' N ' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -137.53 128.28 15.92 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.917 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.469 ' N ' HD13 ' A' ' 72' ' ' LEU . 54.5 Cg_endo -69.7 122.98 9.67 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.349 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.7 m -109.51 168.29 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -100.32 -25.23 14.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -134.24 144.71 52.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.576 0.703 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.4 ' HD3' ' CE2' ' A' ' 154' ' ' PHE . 53.3 Cg_endo -69.81 -23.01 31.05 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.7 m -132.15 161.65 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.16 122.73 2.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.8 mmt -61.05 -45.22 95.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.779 0.323 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.45 -19.41 47.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.5 m -88.54 -37.92 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 tp -69.43 -55.58 9.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -50.0 -30.52 10.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.491 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 11.2 t -60.91 -37.37 82.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.66 -47.91 57.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.459 ' O ' ' CG ' ' A' ' 91' ' ' MET . 77.7 mt -53.05 -56.42 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.73 -33.23 71.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 85' ' ' SER . 18.1 m-20 -60.59 -70.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.458 ' N ' HD21 ' A' ' 90' ' ' LEU . 3.9 mm? -57.11 -32.18 66.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 87' ' ' ILE . 40.6 mmm -60.38 -32.59 71.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.4 p -87.82 -40.7 13.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.2 m -59.32 -50.8 72.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.2 m -120.4 169.63 10.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.9 m -105.41 179.18 4.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.564 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 17.0 tptp -66.39 -36.13 82.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -73.83 -20.05 60.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -77.38 -29.36 53.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.564 ' CE3' ' HA ' ' A' ' 96' ' ' LYS . 10.4 m0 -69.03 111.78 9.54 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.698 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 138.5 38.06 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.266 . . . . 0.0 112.334 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 m -67.33 127.3 32.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 31.6 m -135.47 149.07 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -96.56 120.35 36.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.7 ttm -89.71 133.48 34.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -112.54 139.12 48.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.6 t -129.15 44.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.89 148.27 23.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 t70 49.25 39.48 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 52.65 30.49 8.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.419 HG22 ' CG ' ' A' ' 127' ' ' ARG . 28.6 m -117.78 142.64 47.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.6 t -106.31 113.87 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 99.0 m -128.16 119.18 24.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.86 99.45 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 13.7 mm -90.32 150.64 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -81.72 124.04 29.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.81 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.401 ' O ' ' CD ' ' A' ' 116' ' ' GLU . 1.7 tm-20 -54.32 -20.25 6.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.04 -45.31 34.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -141.79 136.41 30.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.4 -43.48 81.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 0.6 OUTLIER -62.23 -19.59 63.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -75.73 85.91 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 0.3 OUTLIER -88.83 91.27 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.153 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.41 -67.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 90.8 t -117.02 144.94 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -133.23 95.2 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.2 t -117.32 163.87 15.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.419 ' CG ' HG22 ' A' ' 110' ' ' THR . 17.9 mtt-85 -128.9 173.74 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.482 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 30.9 m -78.7 -33.15 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.1 mtt-85 -62.07 -33.67 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -87.69 -26.94 22.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.445 HD23 ' CE ' ' A' ' 134' ' ' MET . 2.0 tt -53.39 121.29 7.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 88.9 p -92.39 -61.0 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -133.97 146.12 50.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.445 ' CE ' HD23 ' A' ' 131' ' ' LEU . 3.5 ptp -150.74 116.15 5.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -144.27 -173.56 15.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.4 t -122.33 145.57 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 111.135 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -79.11 -169.91 37.98 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -48.02 -44.64 31.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.762 0.315 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -89.41 146.3 24.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 30.4 m -85.27 18.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 13.3 m80 -117.78 13.93 14.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 71.2 p -132.69 112.08 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -117.42 128.2 54.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -131.3 148.47 52.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 6.7 p90 -140.01 134.18 31.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.3 mt -99.86 123.91 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.8 ptm -111.16 170.58 8.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -110.43 119.44 39.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 59.0 p -104.45 -45.02 4.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -115.08 -140.31 7.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -82.71 -61.39 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -117.86 11.63 13.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -87.89 138.03 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.4 ' CE2' ' HD3' ' A' ' 77' ' ' PRO . 2.1 m-85 -137.08 133.72 35.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -110.96 125.02 53.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 6.2 t -104.37 108.71 20.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' HIS . . . . . 0.438 ' CE1' ' HB2' ' A' ' 71' ' ' MET . 87.2 m-70 -104.1 126.59 51.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 41.6 t -102.72 144.34 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -143.57 142.68 31.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 30.3 t-105 -98.07 131.17 44.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 66.1 m -116.21 158.96 22.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.543 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 54.1 mt-10 -148.69 146.6 22.49 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.65 0.738 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.1 Cg_endo -69.75 1.5 5.27 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.638 -1.817 . . . . 0.0 112.379 -0.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.457 ' N ' ' OD1' ' A' ' 164' ' ' ASN . 6.2 p-10 -171.81 173.43 4.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -94.62 27.04 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -74.87 -56.3 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.058 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -55.48 -52.99 61.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 94.2 t -58.04 -63.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 82.4 p -44.2 -45.64 8.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.31 -42.22 93.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -60.54 -44.07 96.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.069 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.79 -37.37 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' GLN . . . . . 0.56 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 4.3 mt-30 -55.07 -63.5 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.67 -42.37 34.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -41.19 -48.79 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 64.8 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.919 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m -52.24 105.66 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.906 0.384 . . . . 0.0 110.823 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -150.35 119.7 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.73 -134.98 3.23 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.441 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t 63.21 33.77 13.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.927 0.394 . . . . 0.0 110.87 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 p -87.65 -43.69 11.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.83 94.07 0.66 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.473 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -162.24 133.78 5.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.35 . . . . 0.0 110.837 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.62 83.54 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.95 81.46 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.7 p -134.72 148.76 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -82.77 153.28 67.39 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.566 0.698 . . . . 0.0 111.108 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -21.95 33.0 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -79.43 -26.65 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -81.98 -29.26 32.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -49.25 -38.35 26.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -85.96 -56.07 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.2 mt -46.12 -27.96 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 t -59.3 -60.37 3.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -54.43 -30.96 54.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.461 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 10.0 mtp -67.78 -42.14 82.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -73.13 -27.26 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -70.95 -65.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.42 -60.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.05 -149.73 17.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.478 ' CE1' ' SG ' ' A' ' 176' ' ' CYS . 2.3 t80 -143.99 108.16 4.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 110.933 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.523 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 21.7 mp0 -104.65 122.42 45.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 32.4 t-20 -65.17 123.16 83.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -41.12 4.59 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.3 m -56.01 -38.04 69.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.546 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 33.6 t80 -54.66 -31.32 57.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -100.06 -27.96 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -85.37 7.07 23.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 1.6 p90 -81.2 38.64 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -90.82 -39.49 12.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -84.66 98.2 10.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 63.8 mtm -152.81 167.33 29.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -122.2 89.59 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -87.42 158.46 18.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.2 p -126.58 151.43 47.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.82 82.52 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.437 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 m -118.57 161.32 20.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.816 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.2 t -47.12 124.16 6.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.22 51.23 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.9 m -51.38 106.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 t -162.32 159.3 25.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.87 52.26 0.68 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 t -168.82 151.82 5.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.368 . . . . 0.0 110.829 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.3 t -81.28 50.37 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.24 -143.89 23.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.0 t -128.46 152.41 48.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.1 m -105.28 -48.77 3.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.08 -157.29 28.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 157.95 58.66 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.655 2.237 . . . . 0.0 112.4 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.6 p -75.22 141.64 74.31 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.548 0.689 . . . . 0.0 111.183 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 174.34 9.57 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -88.82 165.03 14.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.8 t -166.84 147.74 5.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -103.52 -44.0 5.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.8 tp -96.17 146.75 24.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.1 p -172.85 141.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -120.27 133.11 55.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.02 124.51 50.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -120.44 130.54 54.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -80.78 106.17 12.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.0 m -132.24 169.57 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -105.82 159.85 15.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -106.68 131.07 54.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.8 mp -99.64 -39.95 8.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.35 172.1 13.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.511 ' HG3' ' CE1' ' A' ' 157' ' ' HIS . 18.8 ttp -89.87 146.99 24.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.57 124.24 9.49 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.611 0.719 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 137.2 34.92 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.292 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.0 m -120.69 177.99 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -107.87 -22.48 12.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -134.86 146.78 60.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -25.64 28.26 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.9 m -133.6 168.79 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.16 103.49 2.18 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.457 ' HA ' ' CE ' ' A' ' 80' ' ' MET . 2.8 mmt -41.68 -57.52 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.751 0.31 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -42.78 -42.68 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -62.95 -49.33 75.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.48 -54.48 46.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -48.64 -26.84 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 t -67.55 -45.48 75.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.41 77.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.7 mt -53.08 -53.95 19.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.23 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -62.71 -58.24 8.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.403 ' N ' HD23 ' A' ' 90' ' ' LEU . 4.3 mm? -66.93 -51.44 55.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 58.0 mtp -40.05 -43.34 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.8 p -73.41 -37.1 66.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.4 t -64.58 -51.03 64.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.1 m -119.3 151.79 37.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.474 ' O ' ' CE2' ' A' ' 99' ' ' TRP . 3.6 m -81.1 174.21 11.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.539 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 75.4 tttt -62.64 -38.4 90.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -81.82 -34.73 30.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -52.73 -29.75 28.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.539 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 7.5 m0 -68.39 121.37 80.34 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.546 0.688 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 167.53 24.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t -93.53 143.15 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 34.6 m -153.45 146.94 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -98.19 126.33 43.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 50.2 ttm -96.23 128.56 43.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -105.62 132.1 52.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.4 t -118.99 48.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.58 146.91 23.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.068 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.1 t70 46.27 49.0 13.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 43.69 31.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.7 m -119.5 142.7 48.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.9 t -104.85 121.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 15.2 m -133.53 104.42 6.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 62.3 t -69.52 95.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 25.0 mm -84.0 146.86 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -76.72 136.13 39.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -66.53 -38.14 86.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -68.22 -36.25 79.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -135.55 123.82 23.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -67.29 -42.57 83.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.81 41.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -134.29 86.41 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 53.9 t -72.2 99.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.7 -45.44 86.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 125' ' ' GLU . 52.9 t -145.37 135.89 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.446 ' N ' HG12 ' A' ' 124' ' ' VAL . 34.6 tt0 -117.91 110.5 17.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 4.6 t -126.14 147.55 49.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -118.48 142.22 47.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.458 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 6.9 m -51.05 -23.94 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -65.68 -47.14 76.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -73.54 -32.17 64.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.7 tt -50.01 125.58 12.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.507 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 63.3 p -100.74 -57.5 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.523 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 18.3 t80 -134.59 153.64 51.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 5.7 ptp -161.52 129.99 4.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -164.24 -175.57 35.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.2 t -107.55 136.32 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 111.169 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -75.86 -154.61 5.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -59.97 -40.61 89.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -91.89 152.25 20.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.425 HG22 ' CE1' ' A' ' 141' ' ' HIS . 31.3 m -80.27 -10.36 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 3.9 m80 -102.19 19.06 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.2 p -124.46 106.74 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -124.75 128.42 48.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -133.63 152.05 51.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.504 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 27.7 p90 -138.71 129.98 27.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 58.9 mt -96.0 132.96 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.3 ptm -120.93 171.71 8.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -114.68 111.31 21.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 14.5 p -90.61 -4.37 56.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 104.95 163.79 24.01 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 61.67 37.11 16.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 56.44 36.28 27.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -109.89 134.69 51.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -128.37 128.86 45.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.441 ' CD ' ' SD ' ' A' ' 71' ' ' MET . 84.3 mt-10 -111.51 117.89 34.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 11.9 t -94.31 109.79 21.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . 0.511 ' CE1' ' HG3' ' A' ' 71' ' ' MET . 89.2 m-70 -102.31 127.76 49.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 51.1 t -103.38 145.7 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . 0.431 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 44.0 m-85 -144.62 136.35 25.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 25.4 t-105 -92.9 122.01 34.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 77.4 m -111.92 151.68 28.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.542 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 16.6 mm-40 -141.91 151.42 59.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.649 0.738 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.0 Cg_endo -69.74 0.17 5.86 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.374 -0.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.472 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 4.5 p30 -168.57 174.95 6.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -97.8 29.69 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.139 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -79.58 -45.08 19.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.23 -67.02 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 91.3 t -38.94 -68.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.4 t -45.67 -57.62 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . 0.401 ' HA ' ' CG ' ' A' ' 173' ' ' GLN . 13.6 tt0 -45.55 -52.36 10.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -57.54 -30.75 65.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 93.4 t -78.07 -20.13 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . 0.401 ' CG ' ' HA ' ' A' ' 170' ' ' GLU . 14.2 mm-40 -57.53 -58.29 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.46 -24.98 66.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -52.72 -37.22 58.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . 0.478 ' SG ' ' CE1' ' A' ' 26' ' ' TYR . 98.4 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 t 60.23 42.15 15.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.815 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -51.12 103.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.24 131.37 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -119.04 108.65 14.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.879 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 m -94.13 -50.47 5.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.02 53.84 0.14 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -126.44 174.08 8.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.41 179.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.82 43.54 18.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 12' ' ' THR . 14.5 p -73.37 163.87 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.438 ' N ' HG23 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -89.23 148.03 39.75 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.56 0.695 . . . . 0.0 111.181 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.88 7.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.267 . . . . 0.0 112.361 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.46 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 1.5 mp0 -55.78 -23.95 32.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' CG ' HG22 ' A' ' 12' ' ' THR . 56.7 mm-40 -85.74 -59.17 2.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -47.47 -56.51 6.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -55.53 -42.39 74.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.46 ' CD1' ' O ' ' A' ' 14' ' ' GLU . 22.2 mt -67.12 -32.24 73.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -62.22 -58.27 8.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -32.21 32.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 mtt -65.52 -36.58 84.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -83.21 -12.7 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -92.8 -59.58 2.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -111.71 -58.96 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.73 -168.96 13.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -133.14 112.65 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.903 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.55 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 19.5 mp0 -102.93 125.39 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 19.5 t-20 -56.45 127.87 72.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.685 0.755 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -34.72 14.03 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.719 2.279 . . . . 0.0 112.355 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.8 m -62.44 -51.27 68.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -43.06 -59.29 2.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -63.14 -70.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -54.91 121.16 8.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -97.84 -46.19 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -69.09 -65.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -79.76 81.84 5.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.9 mtt -91.0 113.31 25.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -63.31 -40.51 97.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -120.8 140.48 51.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.2 m -72.43 136.58 46.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.36 43.68 1.96 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 m 37.85 33.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.865 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.7 m -111.8 125.8 54.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 130.69 50.81 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.4 p -80.16 104.09 10.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.819 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -146.21 148.94 33.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.69 174.26 32.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.3 t -158.1 139.08 13.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' GLY . 4.8 m -155.29 158.6 39.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' SER . . . -37.86 120.69 0.88 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.471 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.2 p -132.28 162.05 31.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.84 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 m -123.73 22.94 8.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.37 83.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 110.75 2.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.9 p -116.13 148.39 41.4 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.623 0.725 . . . . 0.0 111.099 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 93.35 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -110.29 146.88 34.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.6 t -161.85 142.59 10.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -89.16 -46.75 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.0 tp -86.52 116.33 24.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.3 t -134.2 137.34 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -101.42 133.12 46.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -126.06 115.25 19.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -110.94 128.54 55.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -81.48 105.93 13.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.9 m -132.64 179.89 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -113.36 159.66 19.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -108.77 129.05 55.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 mp -98.76 -49.34 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 138.3 163.62 9.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.472 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 11.6 tmm? -84.18 138.67 32.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.472 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.5 OUTLIER -131.05 125.13 20.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.466 ' N ' HD11 ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.77 133.87 26.6 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.347 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.3 m -120.59 -178.76 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -108.65 -28.94 8.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -126.58 144.32 49.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.667 0.746 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -23.61 30.62 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.2 m -132.15 170.84 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.26 128.57 4.44 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.49 -47.89 79.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -54.41 -21.47 9.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.0 m -87.14 -34.28 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.6 tp -68.3 -62.82 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -50.55 -27.05 5.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.489 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 8.7 t -62.08 -47.09 86.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.15 72.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.8 mt -52.87 -55.12 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.84 -35.01 77.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 85' ' ' SER . 18.6 m-20 -59.19 -54.34 48.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.431 ' CD2' ' HB2' ' A' ' 72' ' ' LEU . 1.8 mm? -70.07 -40.68 74.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 56.6 mmm -51.08 -48.01 61.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 58.0 p -73.97 -23.91 59.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.9 m -67.25 -53.82 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.0 m -120.74 -177.38 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t -99.92 169.24 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.453 ' HA ' ' CE2' ' A' ' 99' ' ' TRP . 27.0 tttt -64.06 -27.69 69.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -81.74 -45.41 15.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -44.8 -35.53 2.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.453 ' CE2' ' HA ' ' A' ' 96' ' ' LYS . 11.4 m0 -56.65 109.68 1.86 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.562 0.696 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.6 40.59 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -67.58 139.25 56.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 28.5 m -148.06 145.26 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -94.07 121.7 35.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 46.3 ttm -88.24 129.22 35.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -105.96 135.78 46.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -128.11 41.24 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.75 152.21 22.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.3 t70 46.57 40.3 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 50.9 34.63 10.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.057 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.0 m -125.05 142.16 51.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.088 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.6 t -103.75 118.84 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 51.9 m -131.38 107.45 8.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 84.5 t -72.43 97.71 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.9 mm -90.49 141.96 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.478 ' CB ' ' OE1' ' A' ' 121' ' ' GLU . 2.0 m -70.89 170.03 13.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -93.42 -22.32 18.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -68.61 -36.3 78.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -147.04 166.06 27.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -95.78 -21.77 17.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -95.31 24.71 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.478 ' OE1' ' CB ' ' A' ' 115' ' ' SER . 15.4 tt0 -103.87 76.85 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -70.61 88.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 33.5 mt -66.55 -61.54 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 79.4 t -127.9 126.45 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -110.86 97.31 6.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.416 ' C ' ' HD2' ' A' ' 127' ' ' ARG . 5.7 t -113.04 150.28 32.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 126' ' ' CYS . 1.4 mpt_? -121.26 154.18 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.401 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 11.7 m -66.26 -36.67 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.415 ' CD ' ' H ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -67.68 -22.81 65.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -94.66 -21.92 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 133' ' ' PHE . 2.1 tt -56.57 152.56 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 43.9 p -115.78 -51.67 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.55 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 11.6 t80 -143.46 155.94 44.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 3.0 ptp -157.61 113.0 2.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -142.16 179.14 20.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 91.9 t -109.66 146.2 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.906 0.384 . . . . 0.0 111.123 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -78.76 -151.21 5.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -65.75 -36.86 84.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.327 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.47 156.13 19.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 165' ' ' ALA . 17.4 m -76.87 4.5 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.542 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 15.0 m80 -105.66 13.26 30.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.43 HG22 ' CZ3' ' A' ' 160' ' ' TRP . 2.9 p -125.57 108.41 11.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -120.92 131.92 54.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -141.78 152.0 43.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 9.2 p90 -145.05 140.42 28.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 51.3 mt -100.73 130.34 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 10.8 ptm -119.54 150.35 40.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -96.89 113.44 24.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 39.9 p -86.32 -46.73 10.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 153.02 163.75 11.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 59.02 41.67 20.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 56.86 40.89 28.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -110.77 138.9 46.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -130.6 120.04 23.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -105.61 124.64 49.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.8 t -100.44 112.96 25.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . 0.497 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 94.2 m-70 -103.1 131.2 50.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 52.6 t -108.99 147.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 30.0 m-85 -150.01 132.12 15.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.542 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 33.1 t-105 -86.93 122.98 31.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.36 154.66 25.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 49.7 mt-10 -153.48 153.76 29.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.599 0.714 . . . . 0.0 110.91 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.5 Cg_endo -69.8 -1.98 6.97 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.292 0.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 164' ' ' ASN . 4.2 p-10 -160.77 170.75 20.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -100.57 22.29 12.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -73.7 -52.04 14.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -61.22 -48.89 79.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.7 -62.39 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 49.7 m -49.64 -44.08 47.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -64.24 -42.95 96.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -64.05 -33.19 75.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 94.0 t -78.45 -35.26 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -71.54 -51.85 21.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -55.27 -41.57 72.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -50.61 -48.59 57.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 85.1 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.902 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -54.71 139.56 38.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -92.74 88.9 6.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.13 108.97 0.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 m -50.68 124.67 11.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.914 0.387 . . . . 0.0 110.847 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 p -117.34 -50.76 2.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 8' ' ' ASP . . . 178.64 -61.21 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' GLY . 23.3 p-10 -35.23 108.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.811 0.338 . . . . 0.0 110.824 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.35 86.82 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.63 126.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.148 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 88.6 t -89.77 153.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.62 143.53 26.79 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.593 0.711 . . . . 0.0 111.142 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 1.92 3.97 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -93.17 -27.94 16.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -85.01 -32.06 23.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.5 mmm-85 -43.65 -43.71 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -81.43 -59.69 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.428 ' CD1' ' HB2' ' A' ' 166' ' ' ALA . 20.1 mt -40.22 -40.41 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 22' ' ' GLN . 4.2 m -51.43 -71.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.3 -32.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.1 mmm -76.4 -35.46 58.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 19' ' ' SER . 45.2 mt-30 -77.07 -15.3 59.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -87.67 -62.57 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -107.31 -51.4 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.96 -161.21 14.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -132.15 111.96 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.926 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -98.9 108.73 21.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 14.8 t-20 -59.96 112.17 5.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.74 30.45 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.386 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.7 m -61.13 -42.38 98.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -60.56 -48.0 83.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.94 10.89 3.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -132.56 124.82 29.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 88.4 t80 64.5 52.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -114.94 -52.52 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' MET . 8.0 tt0 -100.11 -44.63 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.513 ' HE1' ' CZ ' ' A' ' 34' ' ' PHE . 4.5 ptp 34.58 47.46 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -97.78 156.03 16.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -113.28 -61.85 1.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.7 t 53.63 39.42 30.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -109.6 -46.6 0.9 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 t -159.96 122.64 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.868 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.7 p -170.93 168.65 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.01 -55.34 0.69 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.2 t -155.35 153.46 30.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 0.0 110.82 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.3 p -122.31 165.06 16.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.61 -146.1 7.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.457 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 t -172.26 152.8 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 t -167.55 167.33 13.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.76 140.83 8.19 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 72.5 p -147.3 171.35 15.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.1 p -141.38 161.34 38.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.817 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.82 178.41 17.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 128.04 15.45 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.6 p -39.02 151.11 0.21 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 95.41 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.38 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -91.68 144.13 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.2 t -173.7 171.78 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -116.72 -42.02 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.4 tp -84.4 134.65 34.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 p -155.17 145.17 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -106.58 126.51 52.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -117.08 116.76 27.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -111.71 140.59 46.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -93.63 93.03 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.1 m -119.16 -175.73 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -118.82 163.34 17.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -109.57 128.77 55.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.5 mp -97.96 -52.49 3.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.59 166.76 10.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.521 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.49 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 10.1 tmm? -85.6 148.84 25.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.49 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.3 OUTLIER -141.08 127.89 11.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.632 0.729 . . . . 0.0 110.864 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.467 ' N ' HD11 ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.82 124.87 11.48 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.31 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 m -104.88 177.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -97.89 -33.73 11.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -134.03 161.07 65.97 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.567 0.699 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -21.45 33.29 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.653 2.235 . . . . 0.0 112.374 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.2 m -137.56 170.21 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.19 113.77 2.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.3 mmt -55.83 -51.62 66.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -50.86 -32.64 20.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.6 m -74.91 -45.65 41.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.63 -53.34 59.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -49.19 -30.81 7.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.459 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 9.2 t -64.64 -43.03 94.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.6 -50.06 74.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.4 mt -54.34 -55.18 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -63.26 -35.07 79.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 85' ' ' SER . 20.7 m-20 -54.19 -62.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 93' ' ' SER . 3.2 mm? -63.26 -49.71 73.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 49.7 mmm -38.19 -52.23 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.8 p -70.59 -30.57 67.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' LEU . 47.5 m -65.56 -53.01 48.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.7 m -121.09 152.17 38.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.4 p -75.89 164.52 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.508 ' HG3' ' CZ3' ' A' ' 99' ' ' TRP . 48.5 tttm -59.45 -29.43 67.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -85.1 -28.9 25.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -58.52 -38.71 78.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.508 ' CZ3' ' HG3' ' A' ' 96' ' ' LYS . 3.6 m0 -57.44 118.64 26.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.11 41.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.315 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.1 m -71.9 129.37 38.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.2 165.79 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -113.04 119.12 36.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.0 ttm -88.28 134.73 33.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -116.45 130.38 56.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.9 t -114.05 35.07 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.21 151.59 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 t0 42.82 46.77 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.434 ' O ' ' CG1' ' A' ' 128' ' ' VAL . . . 42.79 37.36 1.04 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 111' ' ' VAL . 18.4 m -123.36 146.03 48.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.437 ' N ' HG23 ' A' ' 110' ' ' THR . 88.2 t -101.63 113.21 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.429 ' CG2' HD11 ' A' ' 114' ' ' ILE . 3.0 m -126.81 112.74 15.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.437 HG23 ' CE2' ' A' ' 159' ' ' PHE . 85.1 t -83.12 84.85 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.429 HD11 ' CG2' ' A' ' 112' ' ' THR . 20.4 mm -73.06 153.59 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.2 t -87.38 153.75 21.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.63 -43.77 58.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -68.21 -42.83 79.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -120.27 141.82 49.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -96.39 -24.46 16.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -103.09 39.79 1.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 122' ' ' VAL . 6.4 tp10 -104.29 -27.43 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 121' ' ' GLU . 7.2 p 34.63 54.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 122' ' ' VAL . 7.4 mt -36.02 -57.19 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 74.3 t -124.77 145.22 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -138.81 105.41 5.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.6 t -130.52 138.7 50.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -91.18 163.53 14.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.434 ' CG1' ' O ' ' A' ' 109' ' ' ALA . 19.7 m -71.75 -36.03 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -65.23 -36.39 84.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -73.82 -29.49 62.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.2 tt -52.27 133.85 34.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 89.5 p -94.46 -56.6 2.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -145.46 148.26 33.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 4.7 ptp -148.0 124.24 10.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -152.33 -178.45 27.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.0 t -114.17 138.2 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 111.155 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -74.5 -163.19 9.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -53.0 -44.81 67.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -85.81 156.74 20.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.3 m -84.41 -10.55 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.4 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 7.6 m80 -101.3 18.11 20.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 19.9 p -124.09 106.23 10.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -123.07 131.07 53.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -136.95 149.63 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -136.59 142.11 43.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 20.5 mt -103.94 134.17 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.5 ptm -132.35 164.4 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -96.47 132.6 41.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 80.9 p -116.58 -38.13 3.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.106 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -122.59 -141.12 5.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -69.29 -63.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.512 ' O ' ' CZ ' ' A' ' 154' ' ' PHE . 16.8 mt-30 -128.25 14.6 6.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -76.29 145.24 39.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.512 ' CZ ' ' O ' ' A' ' 152' ' ' GLN . 3.0 m-85 -132.97 123.09 25.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.516 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 0.2 OUTLIER -108.84 120.19 41.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.54 111.36 23.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -102.64 126.92 49.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 41.5 t -101.01 148.13 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . 0.437 ' CE2' HG23 ' A' ' 113' ' ' VAL . 60.1 m-85 -146.78 137.02 23.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.4 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 57.1 t-105 -87.46 117.41 26.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 68.8 m -109.38 139.8 43.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -142.01 153.77 64.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 0.0 110.892 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.5 Cg_endo -69.85 -0.51 6.31 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.328 0.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.473 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 48.5 p-10 -174.03 155.16 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -66.62 -24.87 66.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . 0.428 ' HB2' ' CD1' ' A' ' 18' ' ' LEU . . . -39.05 -36.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -73.82 -46.84 42.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 89.8 t -76.79 -61.68 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 44.2 p -40.94 -38.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -72.21 -54.21 10.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.19 -43.6 42.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 67.3 t -69.56 -39.52 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -61.15 -45.14 95.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -58.76 -40.6 84.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.075 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.35 53.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 19.9 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 t -100.97 154.23 18.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.886 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -108.12 -62.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.66 89.66 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 p -51.44 164.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.913 0.387 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -99.61 -179.8 4.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.96 144.53 10.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.31 132.17 43.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.34 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.53 178.78 9.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.15 52.06 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.5 p -142.28 143.79 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -90.56 141.71 27.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.558 0.694 . . . . 0.0 111.16 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 2.62 3.35 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.312 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.85 -16.59 20.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 16' ' ' ARG . 2.7 pt-20 -95.81 -28.72 14.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.453 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 30.6 mtm180 -64.52 -38.88 92.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -82.65 -27.15 31.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.7 mt -69.54 -23.65 63.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -62.97 -63.21 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -46.55 -37.58 8.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.3 mmt -58.15 -44.61 87.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -77.58 -39.64 44.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -51.58 -67.71 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -124.49 -31.47 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.57 -138.41 13.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -155.56 117.07 3.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.523 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 15.6 mp0 -106.13 117.6 34.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -57.56 119.42 32.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.633 0.73 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.533 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 53.8 Cg_endo -69.76 -23.58 30.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.5 m -71.14 -21.22 62.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -83.1 -19.67 36.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -109.79 25.86 11.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.94 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 29' ' ' PRO . 3.9 m-30 -106.79 145.8 31.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 35' ' ' GLU . 34.4 t80 -131.13 -37.18 1.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 34' ' ' PHE . 36.2 mt-10 -35.67 -62.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -101.93 -39.24 7.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.452 ' C ' ' O ' ' A' ' 36' ' ' GLN . 8.3 ttp 34.54 34.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 36' ' ' GLN . 32.5 tp60 -102.61 143.75 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -117.14 172.33 7.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.45 161.16 19.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' SER . . . 140.1 -61.06 0.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 41' ' ' GLY . 54.9 p -34.53 112.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.5 t -111.89 98.84 7.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.28 -164.73 52.13 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.0 p -143.93 170.67 15.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.844 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.7 p -49.53 162.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.24 86.57 1.78 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t -164.11 147.75 9.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.8 t -96.71 -48.28 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -97.63 65.62 0.86 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 50' ' ' GLY . 15.7 m -35.91 134.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.935 0.397 . . . . 0.0 110.841 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -141.02 175.3 9.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.28 80.62 0.33 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 99.83 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.719 2.279 . . . . 0.0 112.366 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.8 p -81.18 144.45 54.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.55 0.691 . . . . 0.0 111.165 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 114.55 3.73 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.634 2.223 . . . . 0.0 112.371 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -38.46 111.81 0.19 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 48.8 m -123.4 122.63 38.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -128.41 -46.24 1.33 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.0 tp -94.22 117.8 30.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.8 p -145.47 142.29 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -115.08 132.25 56.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -119.45 125.42 48.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -118.38 137.27 53.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.1 ttp180 -89.6 99.02 12.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.8 m -123.8 -179.21 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -118.29 157.61 26.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -101.26 130.61 47.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 mp -99.49 -41.45 7.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.54 156.05 8.5 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.434 ' HG2' ' N ' ' A' ' 72' ' ' LEU . 20.9 ttp -77.3 148.48 35.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.434 ' N ' ' HG2' ' A' ' 71' ' ' MET . 0.4 OUTLIER -139.02 126.52 13.22 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.644 0.735 . . . . 0.0 110.924 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 125.43 12.13 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.25 . . . . 0.0 112.325 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.0 m -115.18 171.67 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -104.68 -25.95 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.5 mtt85 -127.09 143.13 45.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -21.63 33.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.431 ' CG1' ' HB2' ' A' ' 133' ' ' PHE . 15.0 m -137.69 171.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.24 119.44 3.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.7 mmt -51.89 -54.65 26.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.734 0.302 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -45.1 -35.01 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.9 m -76.95 -32.88 57.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.5 tp -68.32 -61.91 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -53.34 -18.96 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.472 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 17.9 t -69.53 -45.71 68.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.48 -51.61 54.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 56.8 mt -51.92 -51.61 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -65.04 -35.4 81.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.8 m-20 -60.17 -55.11 37.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -69.32 -40.18 77.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 29.6 mtp -52.59 -45.02 66.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.402 HG21 ' N ' ' A' ' 93' ' ' SER . 2.2 t -80.48 -18.52 48.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.402 ' N ' HG21 ' A' ' 92' ' ' THR . 30.0 t -75.82 -47.22 26.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 m -123.67 179.71 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.464 ' O ' ' CD1' ' A' ' 99' ' ' TRP . 1.5 p -102.04 164.36 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.529 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 41.7 tttm -61.49 -32.22 72.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -82.17 -39.27 23.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -56.27 -17.96 9.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.529 ' CE3' ' HA ' ' A' ' 96' ' ' LYS . 30.1 m0 -74.48 116.59 54.66 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.518 0.675 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 143.7 51.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.384 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.5 m -76.67 137.12 39.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.1 m -142.99 150.34 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -97.12 118.67 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 59.9 ttm -89.37 132.22 35.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -109.09 141.8 40.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.458 ' O ' ' CG1' ' A' ' 106' ' ' VAL . 48.4 t -128.64 41.39 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.02 152.22 22.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t70 47.04 42.38 12.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 49.31 31.48 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.2 m -121.99 140.43 52.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 126' ' ' CYS . 93.3 t -101.9 112.34 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 36.9 m -124.27 116.1 22.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.144 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.1 t -81.55 98.26 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.1 mm -87.45 146.1 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.4 t -79.75 122.07 26.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -48.37 -21.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -59.71 -46.43 89.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -140.1 -176.52 4.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -109.45 -15.08 14.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -106.94 20.09 19.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -105.49 80.16 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.39 101.35 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mt -76.23 -59.39 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 43.1 t -126.01 121.17 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -105.59 95.04 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 111' ' ' VAL . 34.3 t -111.86 141.76 45.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -115.65 174.26 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.461 HG22 ' N ' ' A' ' 129' ' ' ARG . 29.6 m -83.53 -48.11 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.461 ' N ' HG22 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -57.63 -18.35 19.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -100.58 -25.11 14.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.406 HD11 ' CE ' ' A' ' 134' ' ' MET . 3.7 tt -56.8 140.43 47.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.8 m -102.58 -59.79 1.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.523 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 14.9 t80 -134.36 159.03 42.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.406 ' CE ' HD11 ' A' ' 131' ' ' LEU . 2.4 ptt? -161.67 124.74 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -154.57 -176.11 26.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.537 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 71.5 t -114.78 135.79 53.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.18 -163.64 0.45 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -59.97 -35.48 75.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -98.05 168.68 10.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 165' ' ' ALA . 35.4 m -90.77 0.74 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.463 ' HB3' ' CE2' ' A' ' 160' ' ' TRP . 21.5 m80 -107.63 13.72 26.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 31.8 p -125.43 113.72 17.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.415 ' CD1' ' OG ' ' A' ' 169' ' ' SER . 35.8 t80 -131.97 133.99 45.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -142.35 162.56 35.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.07 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -152.02 145.84 25.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.0 mp -102.72 140.77 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 17.1 ptm -129.94 147.3 51.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -93.79 103.17 15.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 70.0 p -88.71 25.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 75.83 163.24 13.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 62.64 42.7 8.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.826 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 45.86 33.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -103.53 131.37 50.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -123.33 122.28 37.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.527 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 2.4 mp0 -106.35 123.79 48.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.0 t -96.44 107.63 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -104.48 129.14 52.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 45.8 t -111.5 146.59 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -146.13 131.47 18.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.463 ' CE2' ' HB3' ' A' ' 141' ' ' HIS . 36.7 t-105 -83.27 129.85 35.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 22.0 m -121.83 147.91 45.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.514 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 1.1 pp20? -146.08 156.62 50.8 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.647 0.737 . . . . 0.0 110.872 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.9 Cg_endo -69.71 -1.33 6.51 Favored 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.316 -0.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.476 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 13.8 p-10 -160.28 173.76 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -102.16 29.52 5.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -81.48 -46.49 14.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -63.4 -59.71 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 54.6 t -48.61 -72.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' SER . . . . . 0.415 ' OG ' ' CD1' ' A' ' 143' ' ' PHE . 3.5 m -40.11 -51.55 2.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -49.79 -54.87 16.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -54.04 -42.42 69.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.48 -36.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -65.26 -61.14 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -54.45 -41.38 69.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.067 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -47.08 -41.17 16.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -147.77 171.07 16.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -174.38 135.61 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.57 -157.5 11.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -139.18 149.19 44.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.892 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -99.01 132.7 44.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.7 45.63 1.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -133.13 130.98 39.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.342 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.12 80.33 8.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.69 107.51 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.8 t -88.56 138.43 19.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -101.37 156.35 35.27 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.569 0.699 . . . . 0.0 111.148 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -17.59 37.55 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.656 2.237 . . . . 0.0 112.38 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.59 -20.18 40.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -85.79 -35.81 20.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -41.64 -31.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -93.53 -52.45 4.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.406 ' CD2' HG22 ' A' ' 136' ' ' VAL . 17.1 mt -47.61 -37.01 11.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.1 p -56.52 -72.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -44.33 -25.82 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.3 mtt -78.32 -43.69 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -71.59 -35.75 70.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -63.39 -67.1 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -109.69 -54.85 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.67 -153.08 16.73 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.524 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.464 ' CD1' ' NE2' ' A' ' 173' ' ' GLN . 29.2 t80 -141.82 110.89 6.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -102.23 125.45 48.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 29.1 t-20 -66.36 119.76 64.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m -49.01 -38.94 24.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -64.59 -71.36 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.63 -27.75 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -87.83 149.1 24.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -108.73 -46.54 3.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -47.04 -34.11 5.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -75.58 74.09 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 10.6 mmt -136.17 174.82 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -58.06 150.68 20.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -123.99 135.16 53.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 t -85.39 -57.16 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.12 -90.1 0.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.463 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.0 m -76.85 149.89 36.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.845 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -130.82 104.62 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.94 92.41 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 t 67.43 41.49 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.382 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.1 p -99.48 156.73 16.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.18 159.96 14.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.6 m -79.39 -46.96 16.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.831 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.9 m -56.73 166.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.56 -120.44 1.0 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.1 m -144.0 155.99 44.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.882 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.1 p -97.35 -50.72 4.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.35 156.09 12.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 162.2 42.99 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.0 p -109.02 152.55 42.52 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.546 0.688 . . . . 0.0 111.138 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -179.55 2.99 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 pttt -81.9 161.99 22.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.5 m -121.99 45.64 2.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 60' ' ' LEU . 6.6 pt-20 -55.41 -34.76 64.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 10.0 tt -93.54 130.22 39.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.5 p -164.86 140.97 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -123.79 132.42 53.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -116.47 125.12 51.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -116.79 156.45 27.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -106.43 100.77 10.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.6 m -124.47 175.84 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -112.07 153.92 26.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -99.32 129.28 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 mp -99.6 -39.61 8.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.57 166.42 12.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.531 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.472 ' HB2' ' CE1' ' A' ' 157' ' ' HIS . 23.3 ttp -83.07 151.33 25.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.469 HD11 ' N ' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -143.53 124.78 8.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 110.965 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.469 ' N ' HD11 ' A' ' 72' ' ' LEU . 53.7 Cg_endo -69.73 127.91 15.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.338 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.66 165.68 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.87 -26.72 16.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -133.41 146.46 60.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -24.28 30.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.238 . . . . 0.0 112.378 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.1 m -128.14 173.38 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.23 117.48 3.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.8 mmt -53.07 -54.67 32.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -47.91 -42.73 27.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.5 m -60.26 -37.93 81.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 tp -70.36 -61.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -42.5 -33.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.481 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 7.0 t -60.88 -43.14 98.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.31 -53.64 45.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 48.0 mt -50.45 -55.88 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.11 -37.3 82.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 85' ' ' SER . 20.5 m-20 -56.34 -61.97 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.89 -39.92 93.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 44.7 mmm -51.72 -42.29 62.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 71.4 p -79.7 -40.74 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.4 t -57.83 -53.61 56.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 m -109.23 -175.67 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 71.6 m -116.7 159.71 21.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.568 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 13.6 tttp -46.86 -47.13 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -69.53 -44.34 71.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -42.98 -40.47 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.568 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 4.7 m0 -59.94 111.0 3.27 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.542 0.687 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 143.91 52.44 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.643 2.229 . . . . 0.0 112.355 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.7 m -69.52 138.5 53.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.3 m -147.18 154.47 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -107.39 121.16 44.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 23.2 ttm -92.53 129.97 38.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 -100.09 131.49 46.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 26.3 t -118.87 50.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -101.75 148.34 25.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.069 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 t70 43.73 50.38 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 41.61 34.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.5 m -119.52 135.17 54.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.4 t -101.98 112.81 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.4 ' CG2' HG11 ' A' ' 122' ' ' VAL . 57.5 m -127.46 107.61 10.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 82.6 t -69.85 94.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 21.8 mm -81.48 147.44 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -78.93 140.26 38.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.06 -45.57 70.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.427 ' C ' ' OD1' ' A' ' 118' ' ' ASN . 13.6 pttm -62.14 -35.93 80.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 117' ' ' LYS . 5.4 m-20 -135.07 120.79 19.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -68.48 -42.46 78.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -81.65 41.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -133.21 84.9 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.4 HG11 ' CG2' ' A' ' 112' ' ' THR . 55.1 t -71.64 103.23 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.5 mt -72.49 -50.71 24.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 91.1 t -133.47 131.82 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -117.77 108.72 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 18.8 t -127.63 153.56 46.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.425 ' HB2' ' CD2' ' A' ' 130' ' ' PHE . 21.7 mmm-85 -123.08 134.66 54.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.47 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 3.4 m -45.77 -24.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -64.85 -45.37 86.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' A' ' 127' ' ' ARG . 62.3 m-85 -75.27 -33.44 61.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.415 HD21 ' N ' ' A' ' 132' ' ' SER . 2.4 tt -43.67 131.0 5.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.415 ' N ' HD21 ' A' ' 131' ' ' LEU . 27.5 p -102.73 -55.23 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -138.39 141.85 39.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 5.0 ptp -146.69 122.41 10.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -156.39 -177.2 29.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.535 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 137' ' ' GLY . 97.6 t -112.05 137.7 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.41 ' N ' HG11 ' A' ' 136' ' ' VAL . . . -75.93 -164.67 16.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -51.1 -45.4 61.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -84.95 152.8 23.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.831 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.412 HG23 ' CE1' ' A' ' 141' ' ' HIS . 34.9 m -79.58 -12.33 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.539 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 8.5 m80 -102.21 19.59 18.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.802 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.0 p -118.74 105.08 11.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.197 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -118.49 129.95 55.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -138.75 142.78 38.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 19.8 p90 -140.75 130.68 24.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 21.4 mt -96.88 124.67 49.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 9.2 ptm -114.03 163.0 15.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -99.45 120.29 39.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 64.6 p -101.81 -44.29 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -121.88 -142.91 6.42 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -71.52 -67.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.741 0.305 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -118.13 24.8 10.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -91.95 131.05 37.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -128.54 120.68 27.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -107.32 122.36 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.0 t -102.52 110.02 21.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 71' ' ' MET . 88.8 m-70 -104.88 132.42 51.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 38.7 t -106.98 144.89 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -144.16 131.0 20.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.539 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 27.5 t-105 -83.82 108.97 17.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 96.1 m -91.85 149.37 21.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.536 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 9.2 mm-40 -145.28 148.34 37.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.82 -0.49 6.26 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.313 0.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.439 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 31.2 p-10 -169.93 169.49 8.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -74.28 -29.85 61.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 170' ' ' GLU . . . -41.36 -37.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -69.35 -57.53 5.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 72.9 t -69.34 -62.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.5 p -41.7 -44.3 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 166' ' ' ALA . 7.8 tt0 -59.93 -58.92 6.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.08 -40.4 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.34 -64.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . 0.464 ' NE2' ' CD1' ' A' ' 26' ' ' TYR . 39.6 tt0 -45.79 -48.76 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -55.28 -45.07 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -48.25 -44.19 33.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 72.2 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.882 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 56.69 41.93 27.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 110.879 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -59.42 -58.07 10.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.38 -174.69 20.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.531 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 p -108.2 163.93 12.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -119.53 149.14 42.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.07 44.75 93.79 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -83.76 150.77 25.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.349 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.23 43.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.16 118.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.7 t -85.13 136.33 23.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.13 147.62 98.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.688 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -10.88 29.65 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.722 2.282 . . . . 0.0 112.321 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -92.25 -31.47 15.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.03 -40.94 97.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -55.7 -35.08 65.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -79.91 -40.15 28.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.07 -42.77 96.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.4 p -51.24 -61.62 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -53.92 -28.12 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.1 mtp -76.71 -36.5 57.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -78.74 -32.05 46.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -78.65 -60.89 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -97.5 -68.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.17 -151.03 17.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 173' ' ' GLN . 24.5 t80 -153.86 105.93 2.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.351 . . . . 0.0 110.924 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -98.33 127.37 44.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 38.6 t-20 -73.2 112.34 15.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.73 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -37.55 9.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 31' ' ' TYR . 28.8 m -54.79 -48.34 72.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 31' ' ' TYR . 1.7 t80 -37.59 -35.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 9.9 tptp -87.88 -47.78 8.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 32' ' ' LYS . 23.2 m-85 -115.58 117.38 30.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -105.08 -36.88 7.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 1.6 mp0 -55.62 -76.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -58.07 91.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.5 mtp -98.42 156.05 16.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -69.27 -52.34 28.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -56.88 112.95 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 t -51.6 169.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.75 134.04 7.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.5 m -102.24 106.58 17.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.38 . . . . 0.0 110.863 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 m -77.65 -55.89 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.9 159.25 7.85 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.1 t -85.13 -51.83 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.84 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 p -164.99 115.18 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.23 -139.96 9.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 84.0 p -76.5 -45.53 30.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 82.8 p -162.82 139.63 7.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.86 110.01 2.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.0 m -72.76 105.37 4.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.4 m -55.49 109.93 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.74 89.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' THR . 53.9 Cg_endo -69.77 -176.99 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' PRO . 82.6 p -37.07 141.33 0.41 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.588 0.708 . . . . 0.0 111.132 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 106.33 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.36 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -122.9 107.25 11.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.9 m -147.49 144.26 28.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -124.18 -51.7 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 tp -91.2 136.05 33.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 p -152.74 139.67 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.079 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -114.81 123.3 48.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -105.62 127.02 52.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -118.05 146.44 44.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -96.24 111.97 23.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.805 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.427 ' CG1' ' SG ' ' A' ' 161' ' ' CYS . 12.3 m -142.69 178.37 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -116.68 155.96 27.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -101.37 128.9 47.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.436 ' CD1' HG11 ' A' ' 158' ' ' VAL . 3.2 mp -98.86 -46.65 5.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.51 167.51 11.19 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.485 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 10.9 tmm? -88.79 140.82 29.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.485 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.3 OUTLIER -134.63 126.73 18.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 110.922 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' N ' HD12 ' A' ' 72' ' ' LEU . 53.2 Cg_endo -69.83 122.63 9.29 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.331 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.0 m -104.58 165.17 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.12 -27.85 19.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -132.09 150.07 75.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.584 0.706 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.452 ' HD3' ' CE2' ' A' ' 154' ' ' PHE . 53.8 Cg_endo -69.72 -26.96 27.24 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.748 2.299 . . . . 0.0 112.36 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.0 m -132.11 168.42 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.84 133.42 4.57 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 mmt -66.93 -59.79 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -43.87 -46.62 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -57.88 -40.02 79.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.96 -54.43 30.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -45.96 -30.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.496 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 12.3 t -63.54 -45.76 89.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.7 -56.86 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.112 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 32.6 mt -47.72 -56.97 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.65 -41.21 94.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.5 m-20 -50.47 -59.57 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.87 -43.11 84.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 45.0 mtp -51.39 -26.21 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.4 p -93.96 -43.98 8.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.2 m -56.96 -50.07 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.4 m -113.44 -178.58 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.402 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 10.8 m -105.39 166.84 10.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.567 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 38.9 tttm -63.59 -39.67 94.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.15 -40.72 37.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -47.77 -32.03 5.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.567 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 15.6 m0 -59.34 115.59 12.93 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.553 0.692 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 140.12 41.74 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.318 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.9 m -69.25 141.03 54.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 27.4 m -151.32 146.51 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -96.82 122.76 40.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 17.1 tpp -89.2 135.61 33.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -107.53 140.23 40.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.0 t -130.81 46.04 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.54 151.79 19.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.9 t70 42.77 48.27 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 45.24 36.73 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.05 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 111' ' ' VAL . 61.8 m -123.3 140.66 52.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.142 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.465 ' N ' HG22 ' A' ' 110' ' ' THR . 59.4 t -104.79 117.84 51.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 34.8 m -131.42 121.73 25.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.6 t -84.47 98.54 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.2 mm -92.2 146.61 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.4 t -75.11 158.65 32.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.02 -32.45 30.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -63.17 -49.33 74.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -123.04 173.14 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -110.63 -19.0 13.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -100.11 29.45 4.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -110.96 78.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 0.8 OUTLIER -73.62 85.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.91 -50.87 69.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.4 t -133.25 134.53 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -128.11 100.87 6.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.41 ' SG ' ' CB ' ' A' ' 147' ' ' MET . 2.4 t -121.58 144.95 48.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.443 ' CD ' HG21 ' A' ' 110' ' ' THR . 8.3 mpt_? -110.36 139.78 45.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.485 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.7 m -46.5 -26.95 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -62.52 -45.77 91.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -75.53 -27.98 58.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.463 HD21 ' CE ' ' A' ' 134' ' ' MET . 2.2 tt -48.33 124.97 8.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.0 m -94.92 -64.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -132.29 148.45 52.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.463 ' CE ' HD21 ' A' ' 131' ' ' LEU . 6.5 ptp -148.66 123.34 9.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -157.63 174.97 35.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.7 t -107.22 144.64 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 111.19 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.18 -160.84 22.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -54.61 -43.67 72.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.331 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -90.59 166.08 13.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.0 m -91.05 -12.62 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.165 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.529 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 2.5 m80 -96.09 19.16 12.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 13.7 p -125.09 105.19 8.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -123.77 128.29 49.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -139.05 152.72 47.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 23.4 p90 -144.35 134.53 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 66.8 mt -95.33 128.66 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.41 ' CB ' ' SG ' ' A' ' 126' ' ' CYS . 9.3 ptm -113.81 165.75 12.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.46 122.29 45.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 75.4 p -100.68 -42.24 6.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.48 -129.65 3.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -89.63 -66.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.311 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -109.66 24.89 12.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -103.33 131.95 49.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.452 ' CE2' ' HD3' ' A' ' 77' ' ' PRO . 3.1 m-85 -133.12 122.49 24.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -107.5 122.73 47.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.7 t -105.98 112.85 26.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -102.78 123.35 46.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.436 HG11 ' CD1' ' A' ' 69' ' ' LEU . 96.8 t -96.21 144.17 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -144.47 139.06 28.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.529 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 20.2 t-105 -99.17 127.68 45.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.427 ' SG ' ' CG1' ' A' ' 66' ' ' VAL . 71.0 m -115.92 151.87 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.546 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 52.3 mt-10 -139.82 148.01 53.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.888 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.7 Cg_endo -69.82 0.6 5.77 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.316 0.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.447 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 1.1 p-10 -175.08 178.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -100.8 40.45 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -83.71 -39.32 20.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -79.91 -42.0 25.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.61 -67.58 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 33.0 p -45.01 -38.96 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -68.92 -47.91 64.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -54.89 -41.29 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.25 -49.27 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . 0.559 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 25.8 tt0 -46.81 -49.52 19.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.02 76.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -52.37 -47.87 65.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . 0.434 ' SG ' ' CE1' ' A' ' 26' ' ' TYR . 13.8 p . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 p 44.56 49.81 8.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.846 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -150.76 149.62 29.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.82 112.94 0.29 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -86.93 137.57 32.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.846 0.355 . . . . 0.0 110.887 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -59.54 -57.71 11.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.62 80.79 0.32 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -146.41 142.0 27.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.88 38.99 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.24 99.53 5.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 81.1 t -95.76 143.19 12.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -79.77 153.41 75.51 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.565 0.698 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -24.35 29.92 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.688 2.259 . . . . 0.0 112.371 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -76.07 -30.7 58.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -77.21 -35.46 55.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -42.22 -32.62 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -89.84 -52.18 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 19' ' ' SER . 17.6 mt -53.12 -55.49 23.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 18' ' ' LEU . 2.3 p -34.12 -48.23 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.839 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -55.03 -54.77 38.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 47.8 mmm -52.73 -38.23 60.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -73.42 -20.88 60.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -84.38 -59.12 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -114.84 -55.13 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.54 -140.23 14.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -158.53 119.96 3.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.878 0.37 . . . . 0.0 110.904 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -100.68 109.82 21.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -58.45 120.68 46.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.669 0.747 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -23.68 30.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.0 p -64.55 -52.61 56.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -42.74 -45.94 4.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -76.7 -54.28 6.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -60.41 130.32 46.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -115.75 -57.74 2.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -42.97 -55.77 3.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 -89.12 91.09 8.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.6 ptp -114.67 174.31 6.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -64.28 -29.47 70.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -69.49 154.24 42.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -96.77 123.26 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 179.61 91.4 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.7 m -122.89 39.97 3.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 110.89 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -147.13 149.31 32.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.8 -64.81 0.44 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.1 p 41.41 41.56 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.4 t -93.59 -54.06 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.46 -84.13 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m -102.44 83.93 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.359 . . . . 0.0 110.87 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.2 m -104.97 176.77 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -179.74 141.58 4.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.5 t -153.82 168.15 27.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.835 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.4 p -163.28 158.21 21.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.3 146.02 10.97 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.526 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 95.96 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.698 2.265 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.9 p -66.47 143.48 98.23 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.582 0.705 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 125.82 12.57 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -68.46 175.27 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.3 p -124.11 123.03 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -47.46 -34.35 7.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.9 tp -75.67 142.65 42.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.4 p -161.95 138.47 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -102.8 138.18 40.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -127.01 113.32 16.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -108.58 135.88 49.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -86.86 107.91 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.2 m -131.58 163.49 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -103.61 147.92 26.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.39 129.64 39.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mp -100.72 -47.94 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.964 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.59 162.5 9.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.489 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 11.1 tmm? -81.21 149.3 29.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.489 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.5 OUTLIER -140.17 123.62 10.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 119.95 6.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.428 ' CG1' HG23 ' A' ' 82' ' ' THR . 2.4 m -102.78 -180.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -103.32 -31.11 10.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -128.8 149.0 70.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.563 0.697 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.67 34.44 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.72 156.43 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 127.76 122.09 2.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.6 mmt -57.45 -60.51 3.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -38.76 -37.18 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.428 HG23 ' CG1' ' A' ' 74' ' ' VAL . 10.8 m -73.38 -45.15 56.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.33 -55.02 38.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -49.95 -26.36 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.486 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 8.1 t -70.16 -43.47 70.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.91 -45.35 94.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.1 mt -58.61 -53.6 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.67 -29.57 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 85' ' ' SER . 24.2 m-20 -63.67 -51.24 66.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.7 -46.95 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 59.6 mtp -43.61 -50.02 7.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 93' ' ' SER . 2.6 t -77.11 -19.6 56.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.424 ' N ' HG21 ' A' ' 92' ' ' THR . 3.4 t -71.5 -50.32 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.3 m -123.09 -179.49 4.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.1 m -96.41 158.27 15.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -60.34 -23.37 64.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.4 pt-20 -86.64 -41.45 14.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 19.6 m-20 -47.28 -38.23 12.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -55.02 110.32 2.12 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.572 0.701 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 138.23 37.32 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.677 2.252 . . . . 0.0 112.346 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.3 m -67.87 135.36 52.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.5 m -144.02 148.71 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -96.74 120.88 37.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 46.3 ttm -90.39 131.31 36.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -103.64 136.82 42.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.2 t -131.45 51.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -104.35 151.53 23.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 t70 49.28 35.82 8.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 56.09 29.89 15.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.6 m -117.7 133.77 55.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.185 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.0 t -102.09 112.64 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 17.6 m -129.28 114.11 15.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.5 t -78.02 95.27 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 9.9 mm -84.16 147.91 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -79.88 159.86 26.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -78.5 -51.88 9.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -65.7 -34.17 77.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -124.27 136.44 54.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -93.61 -34.13 13.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -93.49 32.59 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 122' ' ' VAL . 19.7 tp10 -93.78 -27.3 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.466 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 7.6 p 33.95 51.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 122' ' ' VAL . 7.8 mt -35.05 -55.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 84.1 t -130.44 132.88 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.403 ' HG2' ' NH1' ' A' ' 127' ' ' ARG . 11.3 tt0 -123.04 108.97 13.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.3 t -128.63 155.53 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.403 ' NH1' ' HG2' ' A' ' 125' ' ' GLU . 9.2 mpt_? -119.84 162.28 19.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.0 m -66.04 -20.63 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.12 -29.11 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -86.29 -27.02 24.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 132' ' ' SER . 2.4 tt -57.19 139.65 52.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.438 ' N ' HD23 ' A' ' 131' ' ' LEU . 4.0 t -109.74 -56.82 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -136.85 158.74 43.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 8.3 ptp -159.0 129.37 5.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -162.54 179.95 37.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 76.3 t -114.92 145.07 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.81 -160.94 24.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -55.67 -38.77 70.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.791 0.329 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -92.81 151.78 19.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 30.4 m -84.73 6.34 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.546 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 11.0 m80 -113.7 15.5 18.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.513 HG22 ' CZ3' ' A' ' 160' ' ' TRP . 1.3 p -125.59 108.58 11.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -125.22 129.62 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -134.73 155.28 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 8.8 p90 -140.96 134.07 29.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 22.1 mt -99.97 120.91 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.8 ptm -106.03 168.9 8.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.0 108.12 18.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 44.4 p -86.29 -37.25 18.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.96 171.73 12.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 22.5 t30 53.22 35.92 21.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 59.89 33.46 21.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 22.3 mmt-85 -98.59 143.97 28.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -132.23 119.58 21.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -106.59 115.74 30.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 8.4 t -96.48 108.38 20.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -103.21 132.49 49.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 18.5 t -107.69 144.44 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -144.3 124.78 13.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.546 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 15.9 t-105 -77.73 123.65 26.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 30.0 m -115.09 144.36 43.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.523 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 31.7 mm-40 -140.5 154.01 68.94 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.626 0.727 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.5 Cg_endo -69.7 -2.23 6.96 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.332 -0.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.449 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 22.8 p-10 -170.39 161.19 7.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -85.75 25.19 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -75.43 -44.26 45.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -70.46 -50.15 41.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 78.3 t -55.54 -63.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.2 m -44.87 -49.81 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -55.48 -59.26 5.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -47.07 -41.25 16.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.67 -51.64 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -46.27 -43.51 15.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.67 76.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -48.93 -51.35 30.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 31.0 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.925 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -130.19 150.06 51.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.894 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 t -84.16 95.82 8.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.61 84.11 0.97 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -89.31 145.54 25.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.803 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -114.59 92.07 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.86 -53.26 10.48 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -73.88 165.81 24.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.75 93.6 5.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.085 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.66 106.03 3.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.461 HG11 ' N ' ' A' ' 12' ' ' THR . 11.6 t -82.48 149.23 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.461 ' N ' HG11 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -104.6 154.57 38.37 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.596 0.712 . . . . 0.0 111.161 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -21.77 33.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.274 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -74.89 -26.32 59.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 16' ' ' ARG . 4.4 pt-20 -93.55 -32.09 14.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 22.7 mtp85 -62.15 -28.87 69.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -89.48 -41.29 12.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 mt -65.31 -39.92 93.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 m -53.81 -57.66 10.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 21' ' ' MET . 3.1 ptmm? -54.46 -39.88 67.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.46 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 69.5 mmm -68.39 -27.38 66.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -87.78 -20.3 26.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -92.11 -61.4 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -95.79 -68.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.65 -157.47 18.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -146.07 111.49 5.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -99.39 114.65 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 59.0 t-20 -60.75 123.99 77.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -45.61 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.371 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 m -49.89 -55.41 14.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.447 ' CE2' ' HB2' ' A' ' 132' ' ' SER . 29.4 t80 -42.85 -55.96 3.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.91 -46.7 52.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -82.41 156.87 23.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.602 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 83.8 t80 63.07 34.02 14.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -104.29 -18.83 14.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -98.44 53.36 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 16.5 mmt -123.0 139.96 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -94.69 136.13 35.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -96.06 -48.93 5.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.2 m -49.83 108.03 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.57 -147.65 16.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.3 m -46.1 108.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.2 t -39.11 152.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.08 92.75 2.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.555 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 m -117.21 107.2 14.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.2 p -103.58 -53.14 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.6 56.49 0.16 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 99.1 p -104.2 102.94 12.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.8 m -110.09 140.25 44.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.39 146.21 12.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.523 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.1 t -144.85 158.22 43.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.935 0.397 . . . . 0.0 110.82 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.6 p -54.04 -46.27 71.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.37 -157.78 22.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.544 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 140.01 41.78 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.754 2.303 . . . . 0.0 112.354 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.7 p -60.12 142.81 89.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 145.81 58.35 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.372 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 58' ' ' THR . 19.3 tptm -87.31 152.2 22.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.463 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 8.0 t -169.83 151.32 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -91.05 -47.05 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.7 tt -55.57 119.19 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.443 ' CG2' ' HB1' ' A' ' 107' ' ' ALA . 7.1 p -169.98 126.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -101.72 136.86 40.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -119.66 113.81 21.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -108.34 129.12 55.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -80.81 103.52 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.0 m -130.89 165.37 31.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -101.89 163.73 12.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -110.59 129.85 55.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mp -99.1 -44.52 6.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 135.0 168.19 11.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.503 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 13.3 tmm? -87.72 139.02 30.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.503 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.4 OUTLIER -129.18 125.65 22.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.713 . . . . 0.0 110.923 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 123.6 10.24 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.729 2.286 . . . . 0.0 112.326 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.3 m -106.92 161.56 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -93.51 -26.77 17.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -125.65 144.1 47.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -24.54 29.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.4 m -137.63 164.06 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 120.63 118.1 2.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.0 mmt -50.48 -57.67 7.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -40.61 -43.73 1.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.0 m -63.4 -47.87 80.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.59 -53.05 62.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -57.72 -25.48 60.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.495 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 7.6 t -66.5 -37.51 85.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.34 -50.91 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 58.7 mt -46.33 -58.17 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.24 -39.6 79.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.1 m-20 -56.51 -52.32 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -67.96 -44.32 77.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 85.3 mtp -52.08 -33.81 41.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.8 p -81.97 -39.38 23.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.6 t -62.68 -51.28 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -119.49 156.98 29.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -90.35 159.66 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.548 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 31.0 tttt -48.27 -32.08 6.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -82.7 -42.56 17.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -48.3 -31.4 5.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.548 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 3.2 m0 -69.6 118.73 65.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 110.937 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 163.81 36.89 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -91.16 137.42 32.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.419 HG12 ' CD1' ' A' ' 123' ' ' LEU . 16.8 m -144.8 158.53 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -106.27 120.53 42.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 48.1 ttm -90.72 128.45 36.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -106.43 137.33 44.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 t -127.75 52.97 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.443 ' HB1' ' CG2' ' A' ' 61' ' ' VAL . . . -99.8 148.52 24.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.073 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.3 t0 45.25 47.46 10.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 45.17 36.1 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.412 ' CG2' ' HD2' ' A' ' 127' ' ' ARG . 76.6 m -122.79 143.43 49.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.9 t -106.52 116.69 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.8 m -129.75 98.93 4.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.0 t -68.87 90.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.8 mm -77.51 153.3 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 t -89.45 124.46 34.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.53 -43.41 62.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -53.38 -46.29 69.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -133.31 122.16 23.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.66 -31.35 72.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -89.76 37.55 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -129.24 98.96 5.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 97.4 t -85.24 102.76 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.419 ' CD1' HG12 ' A' ' 102' ' ' VAL . 8.4 mt -70.86 -48.28 54.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 69.1 t -136.89 131.49 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -116.93 99.16 6.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.6 t -122.65 151.94 41.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 129' ' ' ARG . 10.4 mmm-85 -122.04 135.78 54.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.487 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 15.8 m -40.16 -25.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 127' ' ' ARG . 36.9 mmt180 -62.15 -48.23 81.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -73.32 -36.57 66.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.428 ' C ' HD22 ' A' ' 131' ' ' LEU . 1.7 tt -44.69 118.57 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.447 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 11.5 t -91.49 -65.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -126.68 153.07 45.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 4.2 ptp -158.15 129.18 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -160.28 -170.68 25.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.53 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.4 t -118.17 140.17 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -77.25 -161.91 15.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -56.05 -39.73 72.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.94 152.21 20.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 35.4 m -82.95 -3.2 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.515 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 12.2 m80 -106.77 14.47 26.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 21.6 p -121.77 107.61 12.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -124.5 128.75 49.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -133.04 151.23 52.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 9.4 p90 -138.26 134.87 34.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 21.4 mt -99.82 127.63 52.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 6.8 ptm -118.3 165.75 13.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -101.56 120.62 40.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 67.4 p -98.97 -39.81 8.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.61 -138.13 3.88 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -73.24 -67.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -117.64 20.86 13.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -89.33 123.65 33.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -122.84 125.89 46.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -115.46 118.47 33.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.9 t -98.46 113.06 24.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . 0.461 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 89.0 m-70 -102.43 128.92 48.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 22.1 t -106.23 140.49 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 17.0 m-85 -140.54 138.38 34.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.515 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 21.8 t-105 -91.23 123.82 34.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 7.9 m -113.94 155.16 26.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.529 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 60.5 mt-10 -148.65 152.34 37.64 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.692 0.758 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.75 0.04 5.93 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.35 -0.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.479 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 42.7 p30 -169.89 173.23 6.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -96.51 27.05 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -78.08 -41.34 35.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -74.25 -44.98 50.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.82 -72.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.3 t -41.6 -41.61 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -64.28 -47.71 78.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.04 94.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.86 -44.02 92.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -61.9 -58.32 8.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -51.89 -34.44 41.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.24 75.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 82.3 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t 67.68 42.91 1.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 p -159.22 149.9 19.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.28 -52.18 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.4 m -50.25 -61.87 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.908 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 t -157.73 163.63 37.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.7 -153.3 16.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.4 133.24 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 38.52 51.87 1.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.41 90.79 3.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.46 HG11 ' N ' ' A' ' 12' ' ' THR . 41.2 t -77.93 146.57 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.46 ' N ' HG11 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -86.52 144.04 37.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.574 0.702 . . . . 0.0 111.134 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -10.41 28.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.297 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.465 ' HG3' ' CB ' ' A' ' 166' ' ' ALA . 5.1 tp10 -76.69 -45.4 29.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' ARG . 4.4 mm-40 -67.98 -40.61 83.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' GLU . 37.8 mmm-85 -37.38 -45.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -78.33 -55.41 5.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.467 HD11 ' CB ' ' A' ' 166' ' ' ALA . 18.5 mt -45.74 -25.48 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.8 m -64.07 -61.17 2.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 21' ' ' MET . 34.0 pttt -55.04 -29.46 57.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.416 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 96.2 mmm -72.96 -39.46 66.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -72.97 -27.9 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -79.55 -57.8 3.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -106.63 -60.14 1.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.13 -138.05 14.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -149.36 114.01 5.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.819 0.343 . . . . 0.0 110.951 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -101.97 110.58 22.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 47.9 t-20 -62.26 123.72 79.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.645 0.736 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.5 2.05 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.9 m -47.57 -48.74 27.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -58.14 -60.0 4.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -52.12 -59.12 4.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -59.72 171.3 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -122.54 -57.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -45.78 -45.23 14.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -53.59 -32.88 52.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 45.3 mtp -85.58 45.58 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -77.28 152.27 34.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -88.25 173.87 8.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.2 m -104.05 80.58 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -162.1 154.02 24.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.4 m -102.56 150.48 23.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.5 t -43.92 -43.73 6.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.07 175.58 29.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.511 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.5 t -119.25 124.48 46.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.86 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -76.29 2.28 13.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.79 -167.87 14.52 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -45.88 119.47 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.358 . . . . 0.0 110.898 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.0 t -154.02 132.13 11.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.23 65.98 3.99 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.4 t -101.11 124.11 46.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 0.0 110.879 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -167.06 159.55 13.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -179.75 69.95 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 55' ' ' THR . 53.4 Cg_endo -69.76 151.22 69.04 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.649 2.233 . . . . 0.0 112.335 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 54' ' ' PRO . 36.0 p -35.09 138.5 0.36 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.565 0.698 . . . . 0.0 111.204 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 139.03 39.34 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -88.31 146.58 25.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.952 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.3 m -152.33 139.72 19.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -76.03 -43.85 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.2 tp -47.14 133.99 11.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -155.4 132.75 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 106' ' ' VAL . 17.1 mt-30 -105.87 119.43 39.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.45 151.5 49.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -142.93 150.97 40.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 65' ' ' ARG . 6.8 tmm_? -87.49 121.44 29.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.0 m -141.44 163.55 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -101.13 151.08 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -97.51 131.47 44.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 mp -100.94 -40.7 7.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.22 162.63 10.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.601 ' CG ' ' CE1' ' A' ' 157' ' ' HIS . 7.2 tmm? -81.46 150.44 28.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.457 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.4 OUTLIER -141.72 126.58 10.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.572 0.701 . . . . 0.0 110.903 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 134.99 29.27 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.9 m -122.07 178.36 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -110.83 -25.88 9.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -129.68 145.55 57.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 -28.16 25.63 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.323 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.6 m -128.41 175.64 9.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.22 107.84 3.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 mmt -45.4 -46.88 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -50.08 -49.7 50.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.7 m -56.99 -36.79 70.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 tp -67.49 -58.3 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -49.7 -27.48 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.414 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 44.8 t -66.39 -45.78 78.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.59 -55.55 22.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.403 HG22 ' CG2' ' A' ' 142' ' ' THR . 42.9 mt -46.86 -53.49 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -63.08 -35.57 80.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 85' ' ' SER . 24.1 m-20 -60.23 -53.51 56.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 93' ' ' SER . 3.4 mm? -66.57 -54.65 21.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 89.5 mtp -41.83 -38.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.9 p -78.76 -27.99 44.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 90' ' ' LEU . 6.9 t -73.97 -49.18 25.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.3 m -121.83 156.24 33.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.8 m -87.2 172.58 9.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.503 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 57.6 tttt -59.37 -34.74 72.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.85 -40.43 28.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -49.94 -33.27 17.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.503 ' CE3' ' HA ' ' A' ' 96' ' ' LYS . 5.5 m0 -67.97 113.93 17.64 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 164.06 35.93 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.704 2.269 . . . . 0.0 112.37 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.2 m -91.68 139.13 30.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.3 m -146.01 155.19 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 114' ' ' ILE . 57.7 m-80 -101.26 128.81 47.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 58.7 ttm -100.38 140.44 34.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -115.57 132.79 56.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 62' ' ' GLN . 36.2 t -122.3 42.52 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.91 151.91 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.084 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.8 t70 46.27 38.31 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 51.17 34.71 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.5 m -123.57 141.39 52.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.9 t -101.54 113.78 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.451 ' CG2' HG12 ' A' ' 122' ' ' VAL . 6.6 m -125.17 101.82 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 93.2 t -70.01 94.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.408 ' CG2' ' O ' ' A' ' 119' ' ' GLU . 8.6 mm -84.53 157.37 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.9 t -90.48 155.36 18.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -79.69 -44.44 20.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -35.66 75.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -138.55 128.88 25.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.408 ' O ' ' CG2' ' A' ' 114' ' ' ILE . 35.4 tt0 -72.13 -40.5 68.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.33 39.93 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -127.53 85.52 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.451 HG12 ' CG2' ' A' ' 112' ' ' THR . 77.2 t -75.26 94.07 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.4 mt -61.36 -44.49 97.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 77.1 t -142.24 122.43 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -104.16 106.03 16.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.6 t -134.59 158.03 45.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.549 ' NH1' ' CE1' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -128.88 -179.12 4.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.832 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 16.4 m -82.15 -21.67 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -49.66 47.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.549 ' CE1' ' NH1' ' A' ' 127' ' ' ARG . 23.7 m-85 -72.0 -26.02 62.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.26 132.54 50.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 88.9 p -97.77 -65.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -130.49 151.47 50.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 3.9 ptp -153.51 111.31 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -143.08 -177.75 18.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.9 t -110.19 146.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -85.95 -161.64 35.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -53.3 -35.3 59.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.331 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.05 161.36 13.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.1 m -92.92 -3.36 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.448 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 13.2 m80 -102.84 7.34 39.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.403 ' CG2' HG22 ' A' ' 87' ' ' ILE . 1.2 p -117.95 107.07 13.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -121.12 129.21 53.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -134.69 156.99 47.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 11.5 p90 -147.09 136.63 22.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.437 ' CG2' ' HB3' ' A' ' 154' ' ' PHE . 3.6 mp -95.72 117.69 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 6.3 ptm -110.65 155.57 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -97.59 112.85 24.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 40.9 p -95.03 -37.09 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -122.22 -140.72 5.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.469 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -71.82 -69.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.526 ' O ' ' CE1' ' A' ' 154' ' ' PHE . 8.8 mm-40 -119.21 11.9 12.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.55 131.09 38.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.526 ' CE1' ' O ' ' A' ' 152' ' ' GLN . 1.6 m-85 -123.62 118.81 28.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.464 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 3.1 mp0 -105.47 119.43 39.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.3 112.67 24.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . 0.601 ' CE1' ' CG ' ' A' ' 71' ' ' MET . 85.2 m-70 -108.6 131.27 55.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 47.5 t -105.72 140.77 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -140.07 128.41 22.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.448 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 22.1 t-105 -82.01 122.84 28.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 71.5 m -110.81 148.39 32.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.528 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 5.1 mm-40 -142.54 151.78 58.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.8 Cg_endo -69.72 0.23 5.81 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.34 -0.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.478 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 29.1 p30 -173.25 169.01 4.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -88.93 8.95 26.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . 0.467 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -61.07 -43.45 98.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -72.99 -64.21 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 169' ' ' SER . 81.0 t -44.67 -60.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 168' ' ' VAL . 96.3 p -37.94 -49.27 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -66.81 -45.18 79.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.26 -31.69 33.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 24.5 t -83.15 -45.13 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -56.3 -62.88 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.17 -47.38 35.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -44.31 -37.5 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 60.1 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 t -56.59 92.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m -88.59 174.32 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.34 94.95 1.86 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 p -55.67 128.62 35.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -88.03 -46.37 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.46 83.86 0.5 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.23 154.65 19.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.94 91.96 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.95 106.5 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.418 HG23 ' CD ' ' A' ' 15' ' ' GLU . 1.5 p -123.36 151.66 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -98.5 149.09 35.39 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.612 0.72 . . . . 0.0 111.121 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -7.11 20.25 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -96.21 -35.97 11.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' CD ' HG23 ' A' ' 11' ' ' VAL . 5.2 pt-20 -72.99 -22.89 60.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -56.27 -42.8 78.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -78.18 -49.49 13.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 mt -46.42 -36.45 6.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.9 m -45.04 -59.1 2.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -41.1 68.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 54.0 mmm -60.57 -40.43 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -78.53 -21.81 48.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -81.73 -68.54 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.85 -65.99 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.37 -166.66 16.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.538 ' CD2' ' HB2' ' A' ' 173' ' ' GLN . 4.0 t80 -132.45 112.31 12.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.881 0.372 . . . . 0.0 110.913 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -96.27 121.1 37.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 50.4 t-20 -60.6 122.28 66.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.71 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -50.93 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.631 2.221 . . . . 0.0 112.368 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m -45.2 -39.62 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -67.6 -70.54 0.25 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -43.96 -44.2 7.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.425 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 9.2 m-85 -57.55 141.98 46.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -75.6 61.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -75.98 61.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 37' ' ' MET . 38.0 tt0 63.12 35.77 12.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER 34.5 35.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' GLN . 8.4 tt0 -108.87 76.41 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -93.49 38.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 76.8 p -162.43 166.53 24.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.56 -156.52 21.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -134.23 135.42 42.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.826 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.3 t -53.19 112.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.82 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.98 39.72 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 m -80.21 83.81 6.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 m -78.96 84.9 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -36.99 -43.78 0.91 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.5 p -92.67 147.67 22.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.857 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.7 t -81.55 145.87 30.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.55 -148.32 19.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.9 t -80.67 103.9 10.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.936 0.398 . . . . 0.0 110.846 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -77.26 -50.16 13.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.52 169.32 32.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' THR . 53.6 Cg_endo -69.75 96.64 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' PRO . 41.6 p -37.49 147.43 0.23 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.622 0.725 . . . . 0.0 111.125 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 112.8 3.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.375 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -104.19 147.33 27.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.7 t -141.88 131.26 23.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 60' ' ' LEU . 40.0 mt-10 -89.66 -43.24 10.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' GLU . 20.0 tp -36.63 134.12 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 p -158.06 143.36 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -117.7 135.78 53.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -114.43 126.03 54.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -117.88 129.84 55.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -83.83 106.4 15.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.824 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.7 m -133.95 172.73 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -111.68 154.22 25.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -100.27 132.32 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mp -102.89 -44.91 5.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.16 173.29 12.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.485 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.476 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 9.4 tmm? -95.95 143.15 27.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.476 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.3 OUTLIER -131.22 129.87 22.51 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.654 0.74 . . . . 0.0 110.918 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.476 ' N ' HD12 ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.75 133.1 24.77 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.326 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.7 m -124.35 157.72 31.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -91.2 -28.44 17.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 mmm-85 -124.97 143.19 43.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -27.17 27.08 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.712 2.275 . . . . 0.0 112.359 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 133' ' ' PHE . 16.2 m -130.36 170.49 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.17 119.0 2.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.0 mmt -52.22 -63.31 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -41.99 -43.0 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.2 m -60.47 -46.85 88.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.45 -58.11 9.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -46.97 -23.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.488 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 10.9 t -69.26 -40.45 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.26 -54.67 18.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.1 mt -47.26 -58.18 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -58.49 -42.83 88.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 85' ' ' SER . 19.3 m-20 -50.31 -61.31 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 93' ' ' SER . 4.3 mm? -62.08 -52.8 62.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 48.8 mtp -40.13 -39.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 35.8 p -82.09 -31.23 30.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 90' ' ' LEU . 28.2 t -63.51 -53.87 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.3 m -122.22 164.26 18.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.492 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 1.1 t -81.66 175.29 10.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.469 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 53.5 tttm -69.52 -30.8 68.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -81.21 -42.26 21.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.22 -36.23 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.492 ' NE1' ' O ' ' A' ' 95' ' ' SER . 7.1 m0 -60.5 114.64 10.66 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.595 0.712 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 155.58 65.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.724 2.283 . . . . 0.0 112.369 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -82.99 142.17 31.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 35.9 m -151.54 145.63 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -94.12 123.62 37.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 18.7 tpp -94.88 133.15 38.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -108.79 137.99 45.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.482 ' O ' ' CG1' ' A' ' 106' ' ' VAL . 63.7 t -126.8 47.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.74 150.91 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t0 44.68 45.21 7.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 46.8 35.56 3.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.6 m -122.0 140.76 52.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.4 t -101.85 117.0 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.9 m -130.24 110.21 11.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.4 t -74.55 90.37 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.2 mm -78.84 155.69 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 75.6 p -78.39 168.84 19.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -87.47 -63.27 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -53.49 -43.62 68.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -110.12 164.68 12.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -110.51 -40.94 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -83.17 38.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -120.98 87.72 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 94.2 t -76.99 91.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.3 mt -62.69 -49.28 75.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 69.8 t -136.69 119.82 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -106.93 111.98 24.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.4 t -139.45 146.93 40.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -114.78 149.15 37.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.436 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.8 m -48.79 -25.65 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -64.89 -46.62 80.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -67.18 -40.01 86.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.2 tt -39.85 136.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 77.9 p -109.61 -52.66 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.4 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 28.1 t80 -147.63 145.96 29.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 134' ' ' MET . 0.0 OUTLIER -135.35 138.92 43.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -160.34 170.94 36.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 137' ' ' GLY . 99.3 t -120.82 143.65 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 111.129 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.462 ' N ' HG13 ' A' ' 136' ' ' VAL . . . -82.15 -176.64 51.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -48.2 -40.54 24.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -92.17 128.2 37.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 165' ' ' ALA . 35.1 m -62.25 -12.65 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 8.7 m80 -89.66 15.89 8.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 80.6 p -125.5 121.35 33.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.417 ' CZ ' HG21 ' A' ' 172' ' ' VAL . 54.8 t80 -134.01 128.26 33.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -134.66 148.94 50.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 6.3 p90 -146.02 133.4 20.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 56.0 mt -95.49 135.84 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 5.8 ptm -124.46 159.87 29.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.5 114.58 26.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 63.5 p -93.41 -42.89 9.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.2 -127.66 2.93 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -91.72 -63.76 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.757 0.313 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -114.88 20.99 14.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -99.71 126.73 45.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -125.34 125.06 42.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -112.53 118.72 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.8 t -101.69 112.8 25.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -102.77 131.43 49.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.92 148.57 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -146.11 139.43 25.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 50.1 t-105 -93.85 121.93 35.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 3.3 m -108.94 161.51 15.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.536 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 26.9 mt-10 -160.99 152.22 15.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.3 Cg_endo -69.79 -0.31 6.15 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.355 0.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.466 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 53.1 p-10 -166.1 162.28 17.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 140' ' ' VAL . . . -92.35 30.34 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -79.15 -47.41 16.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -66.77 -44.78 80.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 170' ' ' GLU . 96.9 t -67.4 -73.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 168' ' ' VAL . 17.8 p -34.63 -34.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 168' ' ' VAL . 5.9 tp10 -78.33 -52.65 8.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -55.69 -13.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . 0.417 HG21 ' CZ ' ' A' ' 143' ' ' PHE . 57.7 t -87.76 -66.15 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . 0.538 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . 15.4 pt20 -54.1 -50.22 67.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' A' ' 173' ' ' GLN . . . -48.67 -40.93 29.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.91 86.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 74.8 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -150.31 178.21 9.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -65.8 153.23 42.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.0 128.28 2.56 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -108.77 147.85 31.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 0.0 110.912 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 p -175.03 137.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.44 -70.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -42.45 151.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.51 79.38 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.4 92.66 3.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -140.06 141.55 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.32 154.89 37.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.727 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.2 18.03 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -96.09 -24.01 16.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' ARG . 57.8 mt-10 -75.29 -46.4 33.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' GLU . 46.9 mtp85 -35.94 -49.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -66.63 -47.56 72.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.4 mt -55.23 -39.25 69.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 m -41.71 -66.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -41.13 -38.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.2 mtp -71.14 -45.12 64.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -63.12 -32.47 73.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -84.03 -60.79 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -94.52 -58.63 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.21 -144.09 15.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 173' ' ' GLN . 3.5 t80 -153.55 107.8 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.35 . . . . 0.0 110.927 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.549 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 9.4 mp0 -102.85 136.08 43.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -91.16 107.56 22.13 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -30.68 21.94 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.274 . . . . 0.0 112.332 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' TYR . 60.6 m -59.91 -46.07 90.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' A' ' 30' ' ' THR . 53.3 t80 -35.67 -39.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -69.35 -49.59 54.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 30' ' ' THR . 83.6 m-85 -70.36 -15.72 62.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -92.22 -40.16 11.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -53.48 -47.06 70.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -157.95 130.65 7.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.13 178.18 1.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -130.94 -44.8 1.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -57.38 -51.5 69.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 m -88.17 170.58 10.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.95 -83.59 0.25 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.6 t -96.21 -45.22 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.2 p -63.0 98.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.3 -34.86 0.83 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 t -64.58 -57.38 9.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.6 m 59.08 29.97 19.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.04 -103.34 1.67 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.2 p -73.43 92.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 t -88.97 119.37 29.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.58 151.92 20.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.9 t -153.03 109.71 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.3 t -65.64 91.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.17 -148.05 21.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.65 19.72 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.639 2.226 . . . . 0.0 112.382 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.6 p -72.52 142.74 84.33 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.587 0.708 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 123.79 10.45 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -66.35 143.29 57.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.4 m -153.35 124.48 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -81.83 -36.06 28.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.7 tp -84.36 133.47 34.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.408 ' CG2' ' HB3' ' A' ' 107' ' ' ALA . 2.7 p -160.43 130.13 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -103.15 120.0 39.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 145.29 51.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 6.4 m-85 -126.49 -179.09 4.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.7 ttp85 -118.86 104.98 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.3 m -129.43 177.2 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -114.77 153.64 29.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -97.38 133.09 42.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 mp -102.24 -41.62 6.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.88 173.71 13.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.453 ' HG2' ' N ' ' A' ' 72' ' ' LEU . 17.8 ttp -93.94 147.15 23.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.453 ' N ' ' HG2' ' A' ' 71' ' ' MET . 0.4 OUTLIER -138.97 128.46 14.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.663 0.744 . . . . 0.0 110.905 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.438 ' N ' HD11 ' A' ' 72' ' ' LEU . 54.2 Cg_endo -69.75 130.48 19.42 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.34 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.9 m -117.69 159.71 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.32 -30.14 18.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -130.87 145.11 56.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HD3' ' CE2' ' A' ' 154' ' ' PHE . 53.2 Cg_endo -69.8 -17.74 37.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.7 m -136.21 166.3 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.129 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.98 113.92 2.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.4 mmt -47.08 -55.32 8.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.766 0.317 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -47.78 -43.6 27.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.5 m -58.24 -40.47 81.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tp -68.18 -61.32 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -43.48 -33.8 1.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.424 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 21.3 t -63.71 -44.78 92.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.31 -54.3 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 37.1 mt -49.07 -55.8 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -60.63 -37.73 82.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 85' ' ' SER . 19.6 m-20 -56.06 -54.18 48.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 93' ' ' SER . 4.2 mm? -67.88 -53.38 27.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.473 ' SD ' ' CH2' ' A' ' 99' ' ' TRP . 76.6 mmm -42.23 -40.54 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.3 p -75.48 -30.4 59.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 90' ' ' LEU . 10.5 t -60.51 -55.09 37.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 m -125.56 -179.7 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.489 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 24.3 p -92.06 177.81 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.561 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 29.7 tttm -72.09 -27.26 62.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -87.59 -27.02 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.52 -22.43 66.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.561 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 6.9 m0 -72.12 122.21 86.74 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.572 0.701 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 154.72 67.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.8 p -83.4 128.44 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 27.5 m -140.82 153.37 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -105.51 132.58 51.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.7 ttm -103.33 128.14 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -99.54 141.4 32.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 t -131.55 48.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.408 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . . . -96.81 153.33 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.9 t70 46.6 41.53 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 51.19 32.37 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.443 ' CG2' ' HD3' ' A' ' 127' ' ' ARG . 24.9 m -121.49 145.55 47.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 42.1 t -108.47 119.69 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.5 m -130.11 117.36 19.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 88.3 t -83.14 92.03 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.0 mm -84.78 160.67 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.5 t -93.59 153.61 18.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -76.74 -24.56 52.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -69.11 -48.53 62.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -130.6 162.03 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -96.88 -18.12 19.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -101.78 31.43 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -116.26 79.94 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -75.83 92.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.05 -44.31 92.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 125' ' ' GLU . 97.1 t -139.55 138.49 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.446 ' N ' HG12 ' A' ' 124' ' ' VAL . 50.2 tt0 -126.35 102.66 7.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.6 t -121.27 155.88 33.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.443 ' HD3' ' CG2' ' A' ' 110' ' ' THR . 4.0 mmt-85 -123.86 146.3 48.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 131' ' ' LEU . 6.9 m -50.24 -56.59 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -46.64 -36.43 6.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.413 ' N ' ' HG2' ' A' ' 129' ' ' ARG . 12.0 m-85 -78.63 -24.88 45.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 128' ' ' VAL . 1.7 tt -54.54 124.51 16.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.6 p -90.32 -57.65 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.549 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 18.7 t80 -147.76 147.1 29.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 5.1 ptp -148.32 144.14 27.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -170.03 -176.57 39.76 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.524 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.46 HG11 ' N ' ' A' ' 137' ' ' GLY . 61.1 t -116.49 139.79 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.46 ' N ' HG11 ' A' ' 136' ' ' VAL . . . -76.85 -169.85 31.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.485 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -35.12 25.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -94.87 158.22 15.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.8 m -84.87 -18.82 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 14.1 m80 -91.98 19.31 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.4 p -121.73 104.46 9.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -123.32 128.06 49.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -139.47 169.46 17.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.512 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 7.8 p90 -161.94 138.26 7.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.01 140.7 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 20.0 ptm -132.58 156.14 47.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -94.62 115.46 27.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 80.8 p -90.11 -44.45 9.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -117.42 -116.9 2.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -108.6 -62.94 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.938 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -110.35 15.2 22.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -103.73 133.19 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.455 ' CE2' ' HD3' ' A' ' 77' ' ' PRO . 1.5 m-85 -131.61 129.45 40.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -110.92 140.63 45.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 4.2 t -110.85 120.93 44.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -109.77 126.61 53.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 159' ' ' PHE . 99.0 t -104.84 143.41 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . 0.442 ' N ' HG13 ' A' ' 158' ' ' VAL . 46.9 m-85 -141.07 131.99 26.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.561 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 58.5 t-105 -87.98 127.5 35.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 3.4 m -115.77 155.6 27.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.536 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 47.7 mt-10 -154.23 153.08 27.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.7 Cg_endo -69.73 -3.23 7.53 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.353 -0.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 165' ' ' ALA . 6.2 t30 -165.76 144.86 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.518 ' N ' ' OD1' ' A' ' 164' ' ' ASN . . . -79.81 42.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . 0.467 ' HB3' ' ND2' ' A' ' 164' ' ' ASN . . . -87.07 -48.34 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -64.78 -42.82 94.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 63.4 t -63.81 -64.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 81.3 p -47.5 -30.16 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -76.58 -47.38 22.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -58.94 -40.83 85.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 73.4 t -66.24 -37.21 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . 0.567 ' HG2' ' CD2' ' A' ' 26' ' ' TYR . 39.1 mt-30 -55.72 -63.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -51.54 -39.02 56.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -45.47 -48.04 13.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.082 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.93 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -118.75 175.46 5.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.1 p -60.4 123.94 18.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.8 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.01 -179.21 16.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -149.06 146.09 27.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.884 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -101.05 -50.93 3.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.55 64.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -163.98 168.94 18.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.86 34.95 3.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.066 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.65 89.36 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 12' ' ' THR . 21.3 t -77.64 157.54 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.448 ' N ' HG13 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -101.14 153.93 37.47 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.575 0.702 . . . . 0.0 111.181 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -6.94 19.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.65 -22.09 17.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.427 ' OE2' ' CG2' ' A' ' 12' ' ' THR . 31.3 mt-10 -84.44 -50.53 7.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -50.56 -38.6 46.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -78.18 -57.82 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.5 mt -55.39 -23.34 24.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -71.83 -50.71 27.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -62.83 -32.44 73.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.6 mmm -70.99 -30.86 67.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -83.01 -41.61 18.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -57.46 -62.09 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -117.5 -50.42 2.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.5 -158.59 14.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -134.99 103.24 5.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.912 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -89.5 108.74 19.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -54.11 122.36 35.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.596 0.712 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.04 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.321 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 34' ' ' PHE . 22.1 m -44.28 -45.41 8.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -39.9 -48.32 2.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -66.04 -62.18 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -56.76 -14.75 3.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 30' ' ' THR . 5.7 t80 -133.57 77.12 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -121.53 -47.86 2.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -133.76 88.59 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 16.3 mmt -118.65 127.48 53.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -150.14 160.38 43.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -82.98 117.85 23.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.5 t -134.87 141.39 46.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.42 -116.87 4.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -69.9 132.3 45.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.854 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t -131.88 88.2 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.87 176.95 36.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.441 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 m 46.39 41.71 9.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 m -65.85 92.95 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.48 85.02 0.27 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.6 t -97.79 127.03 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 0.0 110.858 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.2 p -164.0 154.48 15.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.04 79.96 1.41 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.4 m -110.85 175.25 5.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.6 p -114.41 149.8 35.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.71 76.08 0.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 101.85 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.5 p -100.31 137.68 20.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.557 0.694 . . . . 0.0 111.166 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 176.12 7.19 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 pttt -109.54 173.0 6.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.3 p -120.8 128.23 52.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -53.95 -31.38 50.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 tp -72.42 115.99 12.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.6 p -157.79 141.66 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -120.7 124.36 45.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.21 115.92 30.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -107.44 132.21 53.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -82.95 95.93 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 31.5 m -125.72 162.48 28.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -102.46 154.23 19.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -98.61 130.11 45.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.406 HD21 ' CG1' ' A' ' 158' ' ' VAL . 4.5 mp -98.81 -41.69 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.66 164.09 11.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.2 ttp -82.77 145.38 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -137.78 127.4 15.15 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.607 0.717 . . . . 0.0 110.919 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.465 ' N ' HD12 ' A' ' 72' ' ' LEU . 54.1 Cg_endo -69.72 126.21 13.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 m -108.68 -179.27 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -115.75 -18.15 10.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -138.64 146.56 51.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.643 0.735 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -25.82 28.44 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.0 m -134.96 166.64 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.57 113.22 2.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 83' ' ' LEU . 2.3 mmt -47.49 -56.98 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -39.61 -41.62 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.2 m -65.79 -38.95 90.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' MET . 1.8 tp -69.43 -54.53 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -54.1 -22.69 11.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.467 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 13.4 t -74.95 -44.02 50.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.68 -50.28 63.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 58.5 mt -49.54 -51.91 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -65.16 -37.63 88.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 85' ' ' SER . 25.8 m-20 -55.2 -48.33 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.406 ' CD2' ' HB2' ' A' ' 72' ' ' LEU . 3.0 mm? -74.98 -46.33 36.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 67.2 mtp -51.35 -27.49 9.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.4 p -84.05 -44.12 14.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.2 p -61.36 -50.58 72.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.2 m -116.48 161.08 19.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.467 ' O ' ' CE2' ' A' ' 99' ' ' TRP . 1.1 t -91.37 -179.0 5.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.817 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.461 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 65.4 tttt -66.84 -33.03 74.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -79.68 -44.17 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -45.21 -33.96 2.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.467 ' CE2' ' O ' ' A' ' 95' ' ' SER . 9.8 m0 -64.42 112.4 7.65 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 138.47 37.93 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.686 2.258 . . . . 0.0 112.383 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 t -67.03 141.14 57.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 33.0 m -149.62 148.82 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -96.92 116.74 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 22.4 tpp -88.07 130.3 35.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -105.46 140.05 39.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.411 ' O ' ' CG1' ' A' ' 106' ' ' VAL . 38.7 t -130.54 41.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.35 149.83 23.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.7 t70 46.19 43.92 11.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 49.16 34.81 6.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.427 HG23 ' CG ' ' A' ' 127' ' ' ARG . 27.5 m -121.84 137.58 54.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 38.8 t -101.78 120.48 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.413 ' CG2' HG12 ' A' ' 122' ' ' VAL . 2.6 m -133.03 113.76 13.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.183 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 91.3 t -79.83 85.39 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.444 ' CD1' HG22 ' A' ' 122' ' ' VAL . 10.0 mm -77.23 145.92 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -79.56 136.45 36.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.08 -34.61 78.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -69.14 -38.39 78.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -133.65 121.23 21.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -67.18 -41.42 85.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -83.84 41.05 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -133.51 88.21 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.444 HG22 ' CD1' ' A' ' 114' ' ' ILE . 54.0 t -79.12 101.02 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.4 mt -67.75 -43.57 79.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 47.7 t -143.74 114.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -102.44 99.47 9.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.85 155.45 31.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.427 ' CG ' HG23 ' A' ' 110' ' ' THR . 41.6 mtt85 -120.25 171.31 8.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 19.1 m -77.18 -34.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -26.48 68.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -91.26 -26.37 19.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.69 136.88 57.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.3 t -103.74 -69.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -126.16 154.09 43.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 5.8 ptp -160.12 122.22 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -150.66 175.32 29.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.9 t -103.4 129.01 55.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.43 -160.75 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.455 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -55.34 -45.64 76.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -89.34 164.33 14.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.1 m -93.45 11.32 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.53 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 10.4 m80 -117.58 19.1 14.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.4 p -131.22 105.28 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -116.73 129.31 56.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -137.0 155.18 50.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.526 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 5.1 p90 -148.81 140.58 23.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.7 mp -98.19 127.33 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 8.5 ptm -112.66 161.24 17.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -103.71 105.31 15.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 48.4 p -83.81 -44.26 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.147 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 146.64 158.05 7.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 21.5 t30 66.09 34.44 6.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 61.77 27.72 16.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -95.22 137.57 34.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -124.3 117.29 24.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -105.56 118.15 35.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.1 t -96.7 115.26 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 159' ' ' PHE . 90.9 m-70 -106.44 126.33 52.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.406 ' CG1' HD21 ' A' ' 69' ' ' LEU . 21.6 t -103.43 138.94 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 157' ' ' HIS . 27.5 m-85 -139.6 136.84 34.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.53 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 31.7 t-105 -87.74 126.14 34.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 78.6 m -109.44 158.14 18.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.534 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 72.4 mt-10 -155.54 149.51 19.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.639 0.733 . . . . 0.0 110.866 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.1 Cg_endo -69.74 0.99 5.49 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.312 -0.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.476 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 33.4 p-10 -167.32 173.19 9.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -96.83 31.45 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -86.49 -48.24 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -68.96 -47.58 65.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 37.5 t -57.46 -64.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.8 m -43.75 -50.16 7.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -55.66 -51.77 66.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.58 -43.32 46.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 57.1 t -72.07 -41.67 67.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -60.16 -60.9 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.38 -41.16 28.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -53.36 -43.62 67.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 86.5 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.908 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t -141.35 139.87 33.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.828 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -76.29 -45.91 30.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.1 95.57 0.74 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -139.69 147.19 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 m -89.37 39.71 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.21 -133.58 1.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 21.4 t0 58.67 46.02 15.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.24 108.77 13.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.2 91.42 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.458 HG21 ' N ' ' A' ' 12' ' ' THR . 7.3 p -142.5 138.87 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.458 ' N ' HG21 ' A' ' 11' ' ' VAL . 1.3 p -81.57 148.83 63.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.53 0.681 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -9.43 26.09 Favored 'Trans proline' 0 C--N 1.34 0.112 0 C-N-CA 122.683 2.255 . . . . 0.0 112.314 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -95.7 -25.86 15.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.419 ' CG ' HG21 ' A' ' 11' ' ' VAL . 4.6 pt-20 -84.47 -26.79 27.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -50.12 -37.49 34.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -91.23 -57.74 2.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.3 mt -48.59 -28.0 3.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 m -57.43 -55.83 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -60.38 -36.65 78.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 44.2 mmm -64.11 -42.02 97.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -75.42 -27.5 59.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -71.47 -64.98 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.8 -51.48 2.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.08 -161.37 12.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -127.07 98.16 5.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.924 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -83.48 105.83 14.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -58.85 118.85 32.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -37.26 9.33 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.4 m -44.0 -56.05 4.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -45.38 -63.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -55.91 -61.77 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -47.15 148.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -126.35 -50.07 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.0 -24.66 1.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -81.07 -39.4 25.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 51.6 ttp -94.84 83.03 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -52.05 142.63 15.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -122.64 79.22 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.1 m -67.18 111.58 4.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.5 146.97 0.17 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.3 p -115.53 -46.87 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.7 m -85.59 149.16 25.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.52 43.89 77.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -39.78 -55.33 1.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.839 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.0 p -147.81 143.73 27.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.61 42.04 1.99 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.3 p -174.08 155.85 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' GLY . 16.7 m -99.04 -43.82 6.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' SER . . . 35.94 -141.98 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.547 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.0 m -146.62 138.82 24.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.3 m -136.46 120.9 18.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.86 -149.03 4.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.474 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 126.92 13.84 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.627 2.218 . . . . 0.0 112.309 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.3 p -54.28 149.01 21.0 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.561 0.695 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -166.37 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.328 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt 38.88 40.61 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.1 m -75.25 107.82 7.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -94.05 -45.49 7.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 tp -96.84 119.96 36.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.7 p -159.44 124.63 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -100.41 136.33 40.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -120.43 119.6 33.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -112.83 150.32 31.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -98.96 103.15 15.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.2 m -130.51 167.3 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -109.9 154.67 22.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.2 130.07 45.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 mp -101.43 -40.1 7.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 131.89 168.54 12.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.539 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.407 ' HB2' ' CE1' ' A' ' 157' ' ' HIS . 19.5 ttp -91.98 145.24 24.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -135.98 126.68 16.75 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.593 0.711 . . . . 0.0 110.95 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.415 ' N ' HD11 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.71 130.84 20.1 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.273 . . . . 0.0 112.326 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.07 169.77 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.35 -30.26 13.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -125.55 150.63 68.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.553 0.692 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -25.57 28.24 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.652 2.234 . . . . 0.0 112.308 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.8 m -138.34 173.05 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.54 122.77 3.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 83' ' ' LEU . 4.3 mmt -54.3 -63.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.771 0.32 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -41.37 -36.06 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -72.03 -36.23 69.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 80' ' ' MET . 4.9 tp -72.35 -54.53 9.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -45.53 -28.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.465 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 19.8 t -65.19 -44.67 87.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.14 -57.4 11.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 45.4 mt -48.4 -54.99 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -61.65 -37.29 83.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.0 m-20 -56.79 -58.58 7.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.426 ' CD2' ' HB2' ' A' ' 72' ' ' LEU . 2.3 mm? -65.87 -43.93 86.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 32.2 mtp -48.0 -48.56 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.451 HG21 ' N ' ' A' ' 93' ' ' SER . 3.1 t -80.56 -21.18 41.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.451 ' N ' HG21 ' A' ' 92' ' ' THR . 39.7 t -66.05 -49.42 67.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.0 m -130.58 -177.24 4.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.4 m -104.64 163.63 12.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.562 ' HD2' ' CE3' ' A' ' 99' ' ' TRP . 18.7 tptp -53.34 -44.72 68.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -62.16 -40.22 95.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -53.8 -37.25 63.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.562 ' CE3' ' HD2' ' A' ' 96' ' ' LYS . 10.9 m0 -63.73 111.47 5.32 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.532 0.682 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 140.49 42.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.637 2.225 . . . . 0.0 112.366 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.9 m -70.67 133.95 47.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.8 m -143.01 149.46 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 114' ' ' ILE . 36.9 m-80 -95.09 123.87 38.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 58.9 ttm -94.2 129.57 40.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -104.3 145.6 30.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.6 t -134.45 50.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.47 152.51 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.2 t70 47.56 40.2 11.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 51.24 31.33 6.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 48.2 m -119.48 139.99 51.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 48.1 t -104.33 111.84 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.2 m -125.53 118.56 26.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.3 t -81.67 97.74 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 103' ' ' ASN . 4.9 mm -89.43 145.99 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.3 t -79.2 156.24 28.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -78.85 -36.35 42.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -54.78 -46.07 74.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -135.41 164.68 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -97.31 -21.72 17.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -98.1 31.02 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -114.83 77.8 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.407 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 0.9 OUTLIER -74.2 85.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.5 mt -59.47 -44.29 93.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 25.1 t -141.88 130.27 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -116.61 99.96 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.9 t -118.6 146.95 44.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -115.62 174.78 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 23.3 m -84.97 -24.06 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -74.87 -31.64 61.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -87.01 -30.98 20.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.5 tt -48.67 139.81 9.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.9 t -104.48 -62.03 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -136.78 152.33 50.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 4.0 ptp -155.65 123.99 5.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -150.27 -177.45 24.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.17 140.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -81.9 -170.17 44.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -43.63 -43.03 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.52 157.94 17.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 14.0 m -86.26 -18.43 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 163' ' ' PRO . 18.0 m80 -90.45 12.18 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 17.8 p -114.41 113.92 25.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -127.01 128.96 47.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -135.48 144.85 46.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 9.6 p90 -138.36 132.89 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 147' ' ' MET . 65.0 mt -96.67 133.56 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.136 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' MET . . . . . 0.404 ' N ' HG23 ' A' ' 146' ' ' ILE . 6.7 ptm -126.85 163.76 22.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -100.03 114.29 27.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.406 HG22 ' CD ' ' A' ' 155' ' ' GLU . 29.2 p -100.74 -14.11 18.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.154 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -144.36 -151.28 5.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -67.7 -56.95 7.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.337 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.461 ' O ' ' CZ ' ' A' ' 154' ' ' PHE . 14.5 mt-30 -129.28 16.54 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 -81.64 146.74 29.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.461 ' CZ ' ' O ' ' A' ' 152' ' ' GLN . 3.2 m-85 -138.62 120.55 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.406 ' CD ' HG22 ' A' ' 149' ' ' THR . 70.0 mt-10 -107.01 123.85 48.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.4 t -101.95 111.37 23.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . 0.456 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 89.1 m-70 -106.4 125.83 51.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 23.3 t -102.1 145.4 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 48.3 m-85 -145.59 131.73 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.411 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 37.9 t-105 -80.46 115.62 20.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 69.5 m -89.91 163.01 15.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.55 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 30.3 mt-10 -156.53 140.89 11.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.667 0.746 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.8 Cg_endo -69.72 -0.04 5.93 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.319 -0.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -175.16 176.39 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 166' ' ' ALA . . . -73.16 -34.3 65.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 165' ' ' ALA . . . -36.53 -41.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -69.16 -61.16 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 169' ' ' SER . 60.0 t -64.22 -64.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 168' ' ' VAL . 91.3 p -36.88 -42.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -68.92 -48.87 62.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -56.12 -40.19 73.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.04 -49.26 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -58.1 -48.21 80.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -52.84 -49.53 65.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -52.61 -46.28 66.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.898 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -67.54 112.36 4.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.878 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -143.33 133.87 24.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.825 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.25 -119.09 6.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -124.85 148.07 48.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 t -65.52 -44.26 87.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.83 135.55 1.65 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.436 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.62 118.68 32.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 110.835 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 67.44 41.3 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.41 88.3 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 12' ' ' THR . 68.7 t -74.53 161.88 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.478 ' CG2' ' HG3' ' A' ' 15' ' ' GLU . 2.7 t -121.32 146.2 44.18 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.4 ' HD2' ' OG1' ' A' ' 12' ' ' THR . 53.7 Cg_endo -69.78 6.82 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -90.99 -29.73 17.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.478 ' HG3' ' CG2' ' A' ' 12' ' ' THR . 1.6 mt-10 -90.05 -38.05 13.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -38.25 -33.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 19' ' ' SER . 7.8 t60 -91.12 -66.14 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' A' ' 17' ' ' HIS . 31.8 mt -40.48 -26.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' HIS . 68.6 m -62.59 -58.25 8.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' NZ ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -58.57 -28.89 65.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.8 mmm -71.37 -42.41 68.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -78.54 -26.48 45.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -75.34 -62.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -112.13 -51.41 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.18 -155.27 16.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.467 ' CZ ' ' HG3' ' A' ' 173' ' ' GLN . 23.4 t80 -145.78 111.63 5.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.959 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -102.42 123.27 45.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 26.9 t-20 -56.5 127.5 72.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.665 0.745 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -47.58 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' TYR . 91.7 m -52.35 -55.26 22.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' THR . 39.3 t80 -37.07 -34.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -95.29 -60.91 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -85.72 130.7 34.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 88.1 t80 63.38 44.05 5.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -98.22 -53.85 3.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -124.54 111.55 15.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.61 173.64 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -144.5 148.26 34.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -154.28 174.93 14.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 t -88.25 157.8 18.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.0 -69.49 1.31 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.6 p -41.78 -55.46 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.901 0.381 . . . . 0.0 110.848 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 t -73.53 85.03 1.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 167.55 120.0 0.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 t -86.43 -45.64 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.824 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.6 t -148.84 171.15 16.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.14 164.87 23.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.8 t -88.79 99.25 12.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.932 0.396 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -111.67 134.14 53.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.6 -104.46 2.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.8 m 42.11 40.4 1.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.922 0.391 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 t -156.75 126.76 6.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.89 -74.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.529 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 150.26 67.8 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.3 p -97.98 147.39 33.0 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.558 0.694 . . . . 0.0 111.153 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 123.01 9.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -91.87 171.19 9.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.1 t -166.86 149.67 6.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.458 ' HG2' ' N ' ' A' ' 60' ' ' LEU . 1.2 pm0 -74.99 -33.16 61.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.458 ' N ' ' HG2' ' A' ' 59' ' ' GLU . 5.0 tt -95.29 126.81 40.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.8 t -146.1 135.95 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -95.74 122.89 39.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -118.41 113.68 21.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -112.08 130.99 55.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -81.02 106.1 12.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.43 ' CG1' ' SG ' ' A' ' 161' ' ' CYS . 14.9 m -132.28 164.77 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -101.25 149.2 24.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -96.76 129.6 44.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mp -98.19 -44.63 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.8 167.43 11.73 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.652 ' CG ' ' CE1' ' A' ' 157' ' ' HIS . 8.1 tmm? -88.19 146.3 25.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -134.87 126.77 18.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.603 0.715 . . . . 0.0 110.927 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.471 ' N ' HD11 ' A' ' 72' ' ' LEU . 54.0 Cg_endo -69.76 131.18 20.7 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 m -117.37 -177.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -120.09 -20.68 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.7 mtt85 -125.28 139.92 34.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.641 0.734 . . . . 0.0 110.851 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 -21.4 33.4 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.65 2.233 . . . . 0.0 112.356 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.0 m -141.52 165.71 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.46 128.58 3.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 83' ' ' LEU . 5.6 mmt -60.57 -61.65 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.763 0.316 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 80' ' ' MET . 36.6 t0 -36.42 -36.91 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.0 m -70.86 -47.21 60.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.194 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 80' ' ' MET . 3.4 tp -62.57 -56.04 21.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -47.73 -25.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.49 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 26.9 t -71.99 -42.89 65.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.47 -40.11 95.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.422 ' O ' ' CG ' ' A' ' 91' ' ' MET . 64.3 mt -62.33 -53.75 43.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -65.4 -32.99 74.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.3 m-20 -56.53 -63.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.458 ' N ' HD21 ' A' ' 90' ' ' LEU . 4.0 mm? -61.82 -33.04 73.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.422 ' CG ' ' O ' ' A' ' 87' ' ' ILE . 37.1 mmm -61.19 -28.26 69.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -90.8 -44.93 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.205 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -58.01 -48.1 81.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.0 m -115.28 179.48 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.1 p -107.84 169.49 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.561 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 38.0 tttm -61.91 -29.44 70.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -82.02 -47.64 12.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -40.41 -37.65 0.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.561 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 7.0 m0 -57.58 109.42 1.76 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.586 0.708 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 139.63 40.51 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.232 . . . . 0.0 112.333 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.401 ' HB3' ' CD ' ' A' ' 116' ' ' GLU . 57.7 m -67.35 136.27 54.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.7 m -147.76 159.68 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -107.15 128.54 54.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 19.3 tpp -95.87 131.78 41.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -106.76 129.23 54.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.449 ' O ' ' CG1' ' A' ' 106' ' ' VAL . 47.3 t -118.62 41.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.66 145.64 27.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.9 t70 45.11 48.8 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 45.54 35.02 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.3 m -121.5 139.48 53.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.6 t -105.14 120.27 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.3 m -134.93 108.39 7.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.165 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.5 t -71.5 96.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.1 mm -87.36 151.89 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 m -83.93 153.38 23.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.401 ' CD ' ' HB3' ' A' ' 101' ' ' SER . 16.0 mt-10 -80.03 -24.58 40.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -80.52 -38.41 29.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -129.56 129.72 44.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -77.72 -32.4 52.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -85.69 31.6 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -117.0 117.79 30.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.455 ' O ' ' CG1' ' A' ' 122' ' ' VAL . 55.0 t -103.02 72.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.0 mt -42.95 -44.82 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 87.0 t -145.89 130.59 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -114.97 100.9 8.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 127' ' ' ARG . 8.0 t -118.62 143.28 46.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.464 ' NH1' ' CE1' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -119.19 142.47 47.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.831 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.455 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 16.0 m -55.47 -18.26 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -65.3 -54.13 33.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.464 ' CE1' ' NH1' ' A' ' 127' ' ' ARG . 9.1 m-85 -73.4 -30.3 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.8 tt -42.78 127.65 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 46.7 p -101.78 -57.78 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -130.74 156.73 44.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 5.6 ptp -161.88 118.61 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -157.15 177.38 34.04 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.3 t -103.76 149.5 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -84.83 -160.55 32.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 139' ' ' ASP . 0.7 OUTLIER -54.95 -34.99 63.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.405 ' N ' ' HG2' ' A' ' 138' ' ' LYS . 5.5 m-20 -99.01 165.66 11.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 20.3 m -95.28 -2.18 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.519 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 35.0 m80 -105.08 14.79 28.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 22.7 p -125.5 106.59 9.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -118.0 128.11 54.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -136.85 150.99 48.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 14.5 p90 -141.27 138.84 33.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 63.3 mt -101.44 119.54 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 5.0 ptm -106.88 171.54 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -107.86 103.21 12.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 64.1 p -98.03 33.62 2.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 157.49 -154.1 25.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -70.56 -64.77 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -119.88 22.62 11.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -92.1 124.48 36.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -126.33 120.43 29.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -111.07 117.33 33.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.3 t -98.56 109.28 22.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . 0.652 ' CE1' ' CG ' ' A' ' 71' ' ' MET . 87.7 m-70 -102.87 131.95 49.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 27.9 t -105.68 144.95 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -141.76 140.79 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.519 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 40.5 t-105 -99.41 129.07 45.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.43 ' SG ' ' CG1' ' A' ' 66' ' ' VAL . 72.8 m -121.93 161.75 22.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 30.0 mt-10 -150.99 152.58 31.78 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.657 0.741 . . . . 0.0 110.934 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.9 Cg_endo -69.8 0.05 5.99 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.358 0.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.48 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 44.4 p-10 -168.53 171.85 8.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -100.0 21.57 12.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.25 -43.06 74.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -69.0 -65.2 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 89.1 t -45.36 -59.19 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 86.3 p -46.04 -41.95 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -69.91 -44.33 69.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -57.47 -43.85 84.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 93.9 t -70.04 -48.68 61.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . 0.467 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 12.1 tt0 -59.94 -61.82 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.21 -36.49 13.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -50.43 -42.59 54.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.894 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -136.18 158.66 43.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.884 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -108.83 125.59 52.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.76 160.92 23.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -133.82 151.3 51.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.368 . . . . 0.0 110.847 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 t -160.45 165.88 30.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.46 177.59 20.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -86.79 147.69 25.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.798 0.332 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.44 176.69 9.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.35 98.63 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.6 t -124.16 139.66 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 t -80.11 142.21 55.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.598 0.713 . . . . 0.0 111.139 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -3.39 11.89 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.734 2.29 . . . . 0.0 112.325 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -88.87 -23.02 22.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -88.97 -29.88 19.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -48.74 -45.19 39.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -86.66 -50.47 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.5 mt -49.24 -27.23 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.8 t -55.88 -54.91 38.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -56.5 -36.45 69.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 mmt -63.41 -42.09 98.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -83.84 -0.14 49.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -91.34 -63.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -125.8 -44.56 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.2 -169.86 13.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -128.61 112.57 14.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -88.85 116.98 27.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -65.59 115.08 18.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -40.39 5.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.1 m -54.21 -19.9 5.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -77.73 -70.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -51.48 -29.33 16.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -78.81 155.02 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.556 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 88.2 t80 63.9 41.94 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -108.22 -57.74 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -110.52 44.78 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 61.3 mtp -102.91 43.57 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -96.44 43.65 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -53.26 -46.17 69.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.8 t -75.26 85.08 2.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.05 -117.19 1.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.0 t -152.62 130.02 11.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.5 m -42.8 147.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.26 48.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.5 t -120.55 156.77 30.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.7 m -50.65 174.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.92 -59.7 0.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.3 t -54.89 147.01 16.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.5 t -170.35 131.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -63.77 94.82 0.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.3 p -136.75 126.39 25.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.374 . . . . 0.0 110.862 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.2 t -107.92 168.24 9.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.5 178.61 48.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -177.81 2.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.376 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.7 p -117.49 137.43 24.13 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.606 0.717 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 152.06 68.91 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.0 162.09 14.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.1 p -137.11 145.47 43.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -72.31 -43.09 64.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 tp -86.07 118.42 25.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.5 p -159.37 144.7 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -124.21 130.41 52.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -112.19 117.43 32.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -111.37 152.9 26.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 48.0 ttp85 -101.46 118.03 36.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.1 m -146.15 177.62 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -117.02 151.87 35.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -97.22 129.04 44.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.954 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 mp -101.25 -38.43 8.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.27 163.94 11.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.453 ' HB2' ' CE1' ' A' ' 157' ' ' HIS . 10.5 ttp -84.13 145.95 28.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.434 ' N ' ' HG2' ' A' ' 71' ' ' MET . 0.4 OUTLIER -136.94 125.2 14.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.584 0.707 . . . . 0.0 110.951 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 137.4 35.33 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 30.5 m -124.96 165.68 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -93.14 -28.65 16.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -127.23 142.12 42.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.701 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.14 36.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.646 2.23 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.8 m -135.77 169.14 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 113.2 121.84 3.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.473 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.0 mmt -56.85 -54.76 42.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -45.51 -31.18 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.3 m -76.56 -43.88 37.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.39 -53.78 47.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -54.0 -26.14 24.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.8 t -66.98 -40.32 87.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.33 -60.89 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 34.4 mt -41.09 -48.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.1 -36.96 83.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -59.3 -47.42 85.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 93' ' ' SER . 2.0 mm? -76.75 -47.77 20.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.0 mtp -39.21 -48.1 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 93' ' ' SER . 10.5 t -75.78 -27.89 58.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 90' ' ' LEU . 70.1 m -63.85 -49.7 71.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.807 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 m -126.86 155.29 43.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.513 ' O ' ' CE2' ' A' ' 99' ' ' TRP . 79.4 p -82.3 -177.53 6.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.503 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 21.7 tttt -70.89 -26.36 63.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -89.82 -25.67 20.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.41 -30.51 71.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.513 ' CE2' ' O ' ' A' ' 95' ' ' SER . 4.7 m0 -70.43 113.35 17.54 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.549 0.69 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 138.48 37.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.9 p -64.59 137.15 57.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.802 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.5 m -145.72 147.6 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -97.71 121.56 39.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 52.9 ttm -88.95 133.86 34.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -110.77 142.9 42.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.2 t -133.49 42.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.05 145.04 29.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 t0 43.0 53.61 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 42.63 39.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.9 m -123.55 137.12 54.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 47.3 t -103.78 113.14 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 62.2 m -128.23 110.29 12.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.8 t -75.9 99.73 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.8 mm -90.6 151.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -86.7 139.18 31.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -70.95 -24.4 62.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -26.49 61.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -159.76 114.72 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.67 -33.12 63.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -81.73 16.83 1.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -107.2 76.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 1.8 p -74.05 96.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.2 mt -70.33 -48.25 57.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 59.4 t -135.13 134.05 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -124.03 95.67 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.96 171.57 8.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 -131.4 -177.33 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.4 m -80.95 -37.75 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.7 mmt-85 -62.75 -37.47 86.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -72.28 -37.81 68.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.2 tt -46.23 148.58 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 96.4 p -111.79 -62.75 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -134.91 140.44 45.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.44 134.19 45.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -166.08 170.2 40.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.525 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 137' ' ' GLY . 90.3 t -111.07 140.94 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.383 . . . . 0.0 111.131 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.419 ' N ' HG12 ' A' ' 136' ' ' VAL . . . -72.97 -168.2 12.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -52.65 -39.85 62.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -91.13 158.05 16.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.3 m -87.52 0.33 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.562 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 31.2 m80 -109.18 13.67 24.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 18.1 p -121.58 105.85 10.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -115.78 131.0 57.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -135.22 149.42 49.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.532 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 10.5 p90 -145.35 134.42 22.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 28.8 mt -100.37 127.61 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 11.1 ptm -116.14 157.54 24.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -99.0 104.88 16.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 51.2 p -85.65 -48.07 9.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -113.38 -141.8 8.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -79.19 -68.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.32 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -113.55 27.77 9.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -97.5 136.81 37.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -131.65 122.86 26.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -117.08 119.74 36.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.7 t -98.14 115.87 29.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 92.0 m-70 -102.76 126.76 50.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 159' ' ' PHE . 19.9 t -100.02 144.57 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 45.0 m-85 -148.23 129.81 14.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.562 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 31.6 t-105 -88.23 126.06 34.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 85.6 m -116.35 148.69 40.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 16.5 mt-10 -140.41 152.06 65.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.0 Cg_endo -69.73 0.19 5.84 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.372 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.479 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 26.6 p30 -173.22 169.8 4.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -96.59 33.06 1.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -80.6 -36.55 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -81.17 -52.58 7.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 53.8 t -50.97 -65.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 2.2 m -43.37 -48.11 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -57.07 -49.22 76.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -55.85 -37.9 69.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.96 -50.33 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -54.33 -63.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -45.98 -43.77 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.061 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -52.01 -39.71 59.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 79.8 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -169.37 119.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.935 0.398 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 m -114.59 110.61 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.92 -148.17 8.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -109.29 153.04 24.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -59.61 163.71 4.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.17 43.52 1.88 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -174.85 150.73 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.29 179.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 51.51 47.47 24.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 p -81.63 134.25 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.456 ' CG2' ' HG2' ' A' ' 15' ' ' GLU . 15.1 t -76.49 140.68 68.64 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 111.1 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 3.72 2.61 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -93.7 -24.77 17.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.456 ' HG2' ' CG2' ' A' ' 12' ' ' THR . 15.7 mm-40 -88.85 -33.68 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -61.95 -38.25 87.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -79.29 -39.16 33.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.41 -34.26 74.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.2 p -60.82 -53.13 61.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 21' ' ' MET . 13.1 ptpt -59.61 -38.9 82.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.445 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 4.5 mtp -62.91 -44.13 96.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -70.23 -5.73 29.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -99.09 -57.24 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -107.47 -61.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.16 -150.39 17.9 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.514 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.457 ' CE2' ' HG3' ' A' ' 173' ' ' GLN . 24.3 t80 -148.49 109.8 4.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.934 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -101.79 109.83 21.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -56.51 119.21 26.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -42.76 3.11 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.301 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.7 m -41.38 -31.26 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -73.45 -61.89 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.506 ' CD ' ' CD2' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -65.44 -7.38 13.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' CD2' ' CD ' ' A' ' 32' ' ' LYS . 14.0 m-85 -107.41 165.84 11.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.44 ' CE1' ' HE1' ' A' ' 37' ' ' MET . 4.8 t80 -107.35 72.39 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -126.3 -4.4 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -76.33 -37.77 56.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.453 ' N ' ' SD ' ' A' ' 37' ' ' MET . 3.4 mpp? -93.44 178.91 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -119.24 149.89 41.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.44 ' C ' ' OD1' ' A' ' 39' ' ' ASN . 13.6 t-20 -134.51 105.29 6.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t -126.72 104.08 7.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.12 -71.06 0.73 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 m -87.99 143.8 26.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.366 . . . . 0.0 110.885 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.5 p -130.6 168.37 17.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.46 87.58 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.8 p -101.06 168.57 9.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.849 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.3 t -63.56 105.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.65 148.4 6.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.45 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.5 p -94.18 113.41 25.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.826 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.1 m -158.16 151.22 22.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -122.04 77.25 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.9 p -129.33 107.76 9.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.0 p -72.12 -53.38 12.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.77 146.9 21.78 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' THR . 53.3 Cg_endo -69.78 106.69 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.295 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' PRO . 17.4 p -37.61 143.03 0.39 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.713 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 99.91 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.19 164.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.2 p -124.36 123.77 40.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -53.13 -25.75 14.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.12 132.48 47.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.43 ' CG2' ' HB2' ' A' ' 107' ' ' ALA . 7.2 p -157.8 120.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 106' ' ' VAL . 21.1 mt-30 -106.76 119.05 38.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.25 150.87 42.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -136.75 177.75 7.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -112.96 106.73 15.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.3 m -131.85 171.58 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -112.46 156.95 21.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.51 129.56 45.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mp -94.47 -56.4 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 147.96 152.21 5.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.446 ' HG3' ' CE1' ' A' ' 157' ' ' HIS . 16.9 ttp -76.02 138.77 41.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -133.49 125.63 18.73 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.618 0.723 . . . . 0.0 110.917 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.471 ' N ' HD12 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.77 133.12 24.77 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.375 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.3 m -119.01 173.71 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -104.43 -26.29 12.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -130.31 148.67 70.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -22.78 31.46 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.679 2.252 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.412 ' CG1' ' HB2' ' A' ' 133' ' ' PHE . 11.2 m -136.21 172.62 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.69 118.51 3.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.3 mmt -54.27 -51.12 65.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -50.77 -25.03 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.7 m -85.44 -44.32 12.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.75 -55.87 17.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -54.13 -28.02 37.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.96 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.491 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 7.2 t -64.43 -43.95 92.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.54 -47.02 71.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 65.4 mt -50.62 -54.19 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -65.79 -33.06 74.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 85' ' ' SER . 20.3 m-20 -58.9 -51.57 69.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.447 ' CD2' HD22 ' A' ' 72' ' ' LEU . 1.4 mm? -73.02 -43.47 62.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 55.0 mtp -47.89 -40.46 21.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.475 HG21 ' N ' ' A' ' 93' ' ' SER . 5.0 t -82.86 -22.61 34.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.475 ' N ' HG21 ' A' ' 92' ' ' THR . 28.0 t -74.04 -31.76 63.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -137.41 177.56 7.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.587 ' O ' ' CD1' ' A' ' 99' ' ' TRP . 70.6 m -102.0 166.5 10.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.825 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.528 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 55.3 tttm -67.32 -37.14 82.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -82.95 -24.97 32.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -69.48 -28.78 66.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 95' ' ' SER . 22.6 m0 -57.73 121.23 47.86 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.545 0.688 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 141.12 44.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.63 2.22 . . . . 0.0 112.378 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.7 m -75.39 140.42 42.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.6 m -150.81 144.62 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -92.76 130.02 38.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.1 tpp -96.53 146.2 25.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -117.82 133.36 56.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 62' ' ' GLN . 40.3 t -125.52 44.24 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.43 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . . . -90.1 148.84 22.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.9 t70 42.31 51.34 4.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 43.75 38.94 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.7 m -123.75 136.33 54.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 63.6 t -103.82 114.27 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.4 m -129.08 118.26 22.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.3 t -81.0 96.66 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.9 mm -87.29 143.34 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -78.04 160.5 28.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -81.09 -42.26 21.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -74.62 -35.54 62.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -125.75 128.47 47.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -85.17 -38.44 19.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -87.71 29.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -89.28 -33.53 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 123' ' ' LEU . 7.1 p 40.7 48.73 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 122' ' ' VAL . 12.7 mt -34.65 -45.19 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 125' ' ' GLU . 98.4 t -139.91 138.55 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.424 ' N ' HG13 ' A' ' 124' ' ' VAL . 24.4 tt0 -128.01 98.47 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.4 t -117.59 151.5 37.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -116.99 167.51 11.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 18.4 m -76.56 -35.36 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 130' ' ' PHE . 1.4 ppt_? -69.21 -7.14 33.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 129' ' ' ARG . 3.7 m-85 -110.23 -27.1 9.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.8 tt -53.89 133.95 42.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.3 m -98.67 -63.6 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.412 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 28.6 t80 -133.03 151.71 52.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 4.9 ptp -158.81 120.14 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -143.01 -161.53 8.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.5 t -123.94 140.98 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -82.49 -175.34 50.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -47.67 -34.81 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -98.31 148.39 23.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 165' ' ' ALA . 25.4 m -76.24 -7.14 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -104.36 12.97 32.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.1 p -116.41 112.63 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -124.23 132.18 53.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -137.85 142.26 40.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.069 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -138.26 141.23 39.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 20.6 mt -105.95 129.71 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.2 ptm -114.38 165.82 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -108.68 108.62 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 63.2 p -85.56 -43.52 13.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 144.77 153.96 6.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 71.53 44.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 51.57 30.01 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -101.58 135.73 42.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -129.41 124.5 34.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.416 ' CD ' ' SD ' ' A' ' 71' ' ' MET . 15.4 mm-40 -106.86 141.03 38.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.4 t -111.27 110.45 20.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . 0.446 ' CE1' ' HG3' ' A' ' 71' ' ' MET . 90.0 m-70 -105.4 126.49 52.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.409 ' C ' ' CD1' ' A' ' 159' ' ' PHE . 14.7 t -105.96 151.09 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.154 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 158' ' ' VAL . 49.8 m-85 -149.39 140.77 23.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.506 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 46.9 t-105 -90.44 117.19 28.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 79.6 m -104.01 155.34 18.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 82.2 mt-10 -154.74 151.43 23.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.671 0.748 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.72 -0.69 6.23 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.328 0.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.46 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 50.8 p30 -167.45 173.25 8.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -86.49 -12.68 48.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -47.98 -41.8 26.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.52 -57.95 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 169' ' ' SER . 83.8 t -61.31 -68.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 168' ' ' VAL . 35.3 p -35.12 -35.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 168' ' ' VAL . 25.3 tt0 -77.28 -57.6 3.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -46.18 -38.4 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 88.1 t -71.29 -54.34 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.143 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . 0.457 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 3.3 tt0 -51.92 -57.32 9.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -50.43 -36.13 31.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.95 95.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 94.4 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 m -68.99 105.96 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.876 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -112.3 177.87 4.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.19 82.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -98.13 172.58 7.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.351 . . . . 0.0 110.848 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m -147.49 164.22 34.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.49 89.47 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -167.04 124.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.349 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.02 85.94 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.3 113.88 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.078 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.4 t -109.08 150.64 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 t -94.5 142.67 25.12 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.575 0.702 . . . . 0.0 111.141 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -7.02 19.98 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.61 -23.39 37.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 16' ' ' ARG . 5.7 mm-40 -92.1 -59.75 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 15' ' ' GLU . 41.6 mtp180 -35.85 -42.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -71.37 -47.33 56.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.437 HD11 ' CG1' ' A' ' 140' ' ' VAL . 17.7 mt -62.61 -24.87 67.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.0 m -65.57 -56.06 14.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 21' ' ' MET . 3.7 ptmm? -56.39 -34.16 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.465 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 12.0 mtp -67.17 -40.69 86.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -70.18 -35.77 74.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -62.44 -64.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -111.42 -57.24 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.03 -165.69 12.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -119.16 100.45 7.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.506 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 30.8 mp0 -94.24 115.77 28.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 18.5 t-20 -60.74 114.18 9.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.568 0.699 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 -28.09 25.32 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.9 m -63.95 -41.63 97.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -48.23 -62.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -41.81 -47.02 4.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -71.03 -33.06 69.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.431 ' O ' ' C ' ' A' ' 35' ' ' GLU . 10.1 t80 -65.16 -41.76 94.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' PHE . 18.7 mt-10 -35.86 -59.69 0.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -128.07 93.7 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 70.8 mtp -95.49 174.29 7.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -84.89 82.97 8.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -62.64 104.44 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.7 p -108.66 122.32 46.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.01 152.23 23.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.3 p -101.02 -51.42 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.9 m -161.4 133.04 5.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.4 82.74 0.87 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 85.7 p -153.86 132.34 12.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.912 0.386 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.5 m -119.6 148.7 43.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.822 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.78 52.48 3.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 91.5 p -148.34 164.28 34.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.7 m -77.92 130.33 36.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.87 84.05 0.24 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.3 m -95.66 98.23 10.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.851 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -81.06 113.41 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.16 162.5 11.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -174.93 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.7 p -72.62 147.45 89.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.589 0.709 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 136.51 33.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.652 2.235 . . . . 0.0 112.33 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -38.42 145.14 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.6 m -146.91 137.27 23.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -121.24 -63.67 1.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.8 tp -71.92 129.39 38.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.434 HG21 ' N ' ' A' ' 62' ' ' GLN . 2.4 p -154.61 141.1 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.434 ' N ' HG21 ' A' ' 61' ' ' VAL . 19.1 mt-30 -116.02 138.91 50.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -121.26 115.32 22.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -106.86 133.43 51.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -83.0 101.25 10.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.0 m -127.97 171.61 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -113.21 152.62 29.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -99.08 128.95 45.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mp -99.49 -44.57 6.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 134.91 170.41 12.18 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 12.9 tmm? -92.01 141.79 28.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.494 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.4 OUTLIER -133.31 127.02 19.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.907 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.81 16.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.7 m -114.93 172.6 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -96.15 -28.14 14.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -135.48 149.25 68.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.631 0.729 . . . . 0.0 110.847 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -22.97 31.53 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.732 2.288 . . . . 0.0 112.345 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.5 m -130.1 170.51 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.23 102.2 2.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 83' ' ' LEU . 1.6 mmt -42.02 -61.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 80' ' ' MET . 2.9 m-20 -37.11 -42.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.6 m -66.38 -45.09 81.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 80' ' ' MET . 2.0 tp -59.25 -51.97 67.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -50.27 -32.27 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.42 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 10.4 t -62.71 -43.93 97.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.72 -54.49 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.062 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 56.7 mt -46.37 -56.02 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.44 -45.34 93.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 85' ' ' SER . 24.0 m-20 -45.82 -58.53 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.445 HD23 ' N ' ' A' ' 90' ' ' LEU . 4.3 mm? -66.41 -51.17 59.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 68.6 mtp -42.49 -40.19 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.2 p -77.05 -42.73 37.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.155 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -58.91 -52.5 65.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.3 m -118.31 157.17 27.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 m -86.46 162.21 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.506 ' HA ' ' CD2' ' A' ' 99' ' ' TRP . 23.4 tttm -54.26 -41.96 69.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -73.91 -33.05 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.86 -28.63 64.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.506 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 6.8 m0 -67.85 120.47 74.03 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.585 0.707 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 153.45 69.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.364 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.6 p -82.37 130.34 35.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.8 m -141.44 148.82 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -97.32 138.07 35.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 50.4 ttm -105.17 130.98 53.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.451 ' ND2' HG13 ' A' ' 114' ' ' ILE . 12.3 m-20 -104.33 135.1 46.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 t -124.61 38.19 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.35 151.16 24.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 t70 44.08 47.57 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 44.82 35.12 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 62.7 m -121.18 144.54 48.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.5 t -110.93 113.5 44.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.491 ' CG2' ' CG1' ' A' ' 122' ' ' VAL . 31.6 m -128.05 111.25 13.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 62.8 t -68.85 92.17 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.451 HG13 ' ND2' ' A' ' 105' ' ' ASN . 19.2 mm -82.59 139.91 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.428 ' CB ' ' HG2' ' A' ' 121' ' ' GLU . 1.2 t -78.49 147.58 33.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' CD ' ' O ' ' A' ' 116' ' ' GLU . 0.6 OUTLIER -73.05 -17.1 61.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -73.01 -25.79 61.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -164.38 149.61 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -75.5 -45.06 40.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -64.79 -15.24 61.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.428 ' HG2' ' CB ' ' A' ' 115' ' ' SER . 7.8 tp10 -70.72 104.05 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.491 ' CG1' ' CG2' ' A' ' 112' ' ' THR . 89.1 t -102.6 87.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.0 mt -58.61 -46.75 86.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 57.9 t -141.05 139.62 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -125.61 101.16 6.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.2 t -117.37 146.42 43.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -117.63 144.81 44.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.462 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 8.2 m -51.73 -20.02 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 18.6 mmt-85 -74.35 -34.86 63.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -86.44 -25.63 25.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.1 tt -56.79 126.81 28.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.2 p -98.38 -59.65 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.506 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 12.8 t80 -133.38 151.77 51.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 4.2 ptp -159.04 118.96 3.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -150.43 -172.99 20.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 137' ' ' GLY . 67.2 t -114.64 138.62 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 111.18 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.435 ' N ' HG12 ' A' ' 136' ' ' VAL . . . -82.0 -169.57 43.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -41.93 -53.13 3.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.75 0.31 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.46 160.55 26.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.437 ' CG1' HD11 ' A' ' 18' ' ' LEU . 31.6 m -92.07 -4.38 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.5 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 32.3 m80 -106.49 19.24 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.9 p -123.84 105.14 9.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -116.33 128.34 55.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -132.0 148.27 52.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 12.8 p90 -142.69 129.84 20.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 16.9 mt -97.71 131.88 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.9 ptm -120.79 166.27 13.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.91 115.11 29.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 30.1 p -107.19 39.18 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 69.35 158.73 1.84 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 152' ' ' GLN . 6.9 t-20 62.13 47.18 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.321 . . . . 0.0 110.89 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 151' ' ' ASN . 3.6 pt20 37.71 33.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -89.22 150.34 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -132.9 118.65 19.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -109.77 114.31 27.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.6 t -92.84 107.97 19.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . 0.468 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 94.2 m-70 -102.95 128.05 49.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 38.9 t -103.02 142.9 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . 0.475 ' CE1' ' CE2' ' A' ' 145' ' ' PHE . 35.4 m-85 -144.45 133.1 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.5 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 24.1 t-105 -84.96 124.81 32.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 69.7 m -107.61 162.56 13.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.537 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 23.4 mt-10 -159.37 150.11 15.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.641 0.734 . . . . 0.0 110.909 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.76 1.25 5.4 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.325 0.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.484 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 36.6 p-10 -174.51 158.48 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -64.74 -30.17 71.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -40.56 -35.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -69.45 -65.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 169' ' ' SER . 86.3 t -57.35 -64.15 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 168' ' ' VAL . 95.1 p -36.74 -47.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -61.32 -54.72 40.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.11 -39.16 59.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.11 -54.36 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -41.58 -56.14 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -54.59 -45.76 73.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -50.78 -44.85 58.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 98.5 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.922 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -160.66 167.77 26.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.877 0.37 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -38.49 145.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.65 43.6 3.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 m -111.83 152.01 28.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 m -129.55 125.45 36.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.14 -68.78 0.2 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -54.0 160.91 1.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.63 159.73 25.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.41 126.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.087 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.3 t -68.6 140.98 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.168 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.38 144.75 38.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.562 0.696 . . . . 0.0 111.132 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 0.2 5.99 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.648 2.232 . . . . 0.0 112.385 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.16 -43.75 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 16' ' ' ARG . 6.0 pt-20 -65.73 -37.08 85.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.43 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 29.8 mmm-85 -40.2 -44.61 1.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 19' ' ' SER . 1.4 t60 -79.67 -52.47 7.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 17' ' ' HIS . 16.0 mt -37.63 -27.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 17' ' ' HIS . 12.5 t -57.87 -68.48 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -46.86 -27.41 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.409 ' HG3' ' NE2' ' A' ' 17' ' ' HIS . 75.9 mmm -75.94 -40.37 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -73.57 -18.95 61.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -89.68 -48.06 7.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.85 -63.21 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.96 -144.44 18.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.413 ' CE2' ' HG3' ' A' ' 173' ' ' GLN . 19.4 t80 -157.3 111.39 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 110.939 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -98.5 105.66 17.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -61.9 110.92 3.67 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.471 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 54.4 Cg_endo -69.74 -28.75 24.99 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.628 2.219 . . . . 0.0 112.385 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -59.43 -26.71 65.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -77.04 -61.14 2.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -16.64 8.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.471 ' CD2' ' O ' ' A' ' 29' ' ' PRO . 3.0 m-85 -76.57 166.96 22.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -67.63 -39.54 84.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -39.18 -40.55 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.45 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 9.4 tm0? -67.1 73.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.7 mmt -132.64 151.3 51.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pm0 -165.85 151.41 8.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -136.16 152.03 50.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 m -126.35 178.6 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.24 42.34 96.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.546 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.0 m -43.86 -46.95 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 110.87 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.3 t -90.59 -57.07 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.44 -139.32 10.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.47 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.4 m 50.55 41.61 25.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.946 0.403 . . . . 0.0 110.851 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.8 t 48.48 42.39 18.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.34 94.52 0.45 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.4 m -67.52 163.15 21.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.7 t -96.18 127.62 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.822 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 158.15 47.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.47 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.2 m -75.31 166.71 23.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 110.854 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -48.36 124.0 7.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.93 137.96 8.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 169.06 19.72 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 2.249 . . . . 0.0 112.358 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.5 p -67.08 145.16 98.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.606 0.717 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 153.24 69.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -75.18 119.46 19.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.5 t -151.32 141.38 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -77.87 -52.6 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 tt -71.99 136.82 46.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.44 HG21 ' CB ' ' A' ' 107' ' ' ALA . 12.7 p -166.09 134.51 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -130.3 139.91 50.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.21 120.41 35.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -113.02 153.05 28.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -100.28 109.59 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.6 m -137.97 167.07 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -106.65 158.29 17.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -101.36 128.97 47.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 mp -97.78 -49.46 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.06 164.32 9.84 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.434 ' HG2' ' N ' ' A' ' 72' ' ' LEU . 19.4 ttp -83.82 148.8 26.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.475 HD12 ' N ' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -139.37 128.17 13.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.587 0.708 . . . . 0.0 110.967 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.475 ' N ' HD12 ' A' ' 72' ' ' LEU . 54.2 Cg_endo -69.72 130.71 19.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.4 m -119.56 179.18 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -116.7 -22.3 8.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.3 mmt-85 -130.28 143.55 49.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.622 0.725 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -23.0 31.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.388 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.406 ' CG1' ' HB2' ' A' ' 133' ' ' PHE . 35.4 m -139.61 167.88 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.45 110.15 2.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.6 mmt -40.56 -57.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -38.69 -44.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.2 m -66.75 -49.97 64.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.3 tp -56.82 -51.93 67.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -62.57 -23.58 67.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.5 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 32.3 t -71.11 -42.85 68.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.2 -49.79 58.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.5 mt -50.89 -55.97 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -60.49 -35.69 76.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.5 m-20 -58.9 -56.34 23.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.56 -29.04 65.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.5 mtp -64.37 -34.83 79.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.435 HG21 ' N ' ' A' ' 93' ' ' SER . 4.0 t -91.69 -20.13 21.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.141 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.435 ' N ' HG21 ' A' ' 92' ' ' THR . 14.3 m -69.24 -52.83 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.8 m -119.0 -179.01 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.4 m -96.2 170.43 9.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.523 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 72.2 tttt -64.54 -36.82 85.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.94 -36.17 31.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -49.5 -25.06 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.523 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 7.9 m0 -73.82 115.66 44.36 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.533 0.682 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 145.5 57.24 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.6 m -71.33 142.32 50.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 30.9 m -152.29 143.54 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -93.23 126.57 38.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.0 tpp -96.1 136.71 36.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -110.57 147.85 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.0 t -133.86 27.57 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.44 ' CB ' HG21 ' A' ' 61' ' ' VAL . . . -70.66 143.9 51.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.6 t70 46.14 48.69 12.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 44.53 36.87 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.3 m -120.93 141.47 50.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.1 t -103.47 118.84 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.9 m -133.65 103.08 5.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.3 t -71.37 93.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.3 mm -83.25 154.14 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.2 t -77.55 165.58 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.42 -34.33 15.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -67.3 -33.41 75.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -140.71 162.41 35.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -101.36 -12.55 18.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -103.42 19.11 20.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -106.74 78.32 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.49 103.79 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.11 -43.88 32.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 80.4 t -137.26 126.54 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -114.32 94.22 4.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.8 t -121.44 155.17 35.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -127.77 173.07 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 17.7 m -73.3 -20.42 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -74.36 -21.9 59.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -103.78 -19.91 14.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 131' ' ' LEU . 2.4 tt -66.24 125.75 26.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.0 m -97.6 -63.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.406 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 13.6 t80 -125.9 152.68 45.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 2.5 ptt? -158.82 107.89 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -135.55 -174.07 13.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.468 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.3 t -121.71 134.01 66.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 111.094 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -68.53 -169.63 5.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -49.29 -44.9 44.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -87.29 153.89 21.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.847 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 165' ' ' ALA . 13.1 m -85.97 8.26 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.51 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 7.4 m80 -113.05 14.07 19.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 3.5 p -122.57 109.37 14.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -121.35 129.42 53.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -139.05 148.15 42.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 10.7 p90 -140.9 137.02 32.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.4 mt -101.0 123.63 54.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.6 ptm -115.48 169.05 9.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -109.74 125.12 52.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 59.8 p -104.01 -39.77 6.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -125.93 -138.27 4.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -75.96 -66.37 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -118.09 15.92 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -88.25 129.2 35.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -128.38 133.48 48.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -113.7 117.16 30.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.22 110.98 22.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -106.1 133.09 51.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.6 t -112.77 144.05 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -144.64 139.7 28.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.51 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 16.5 t-105 -92.66 120.17 32.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 34.5 m -105.35 157.53 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 35.3 mt-10 -151.59 150.53 26.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.89 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.4 Cg_endo -69.71 0.5 5.68 Favored 'Cis proline' 0 C--N 1.34 0.129 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.331 -0.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.474 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 32.4 p30 -164.69 179.04 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -103.58 29.17 5.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -83.2 -60.01 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -54.23 -24.18 17.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 88.9 t -86.18 -62.86 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 79.9 p -53.37 -32.16 48.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -76.4 -50.91 12.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.26 89.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.13 -38.64 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . 0.413 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 29.9 tt0 -59.57 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.85 -43.2 38.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -44.36 -50.85 8.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 79.9 m . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.887 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -145.67 144.59 30.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 p -97.99 108.43 21.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.19 125.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 p -83.53 99.84 10.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.36 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 t -146.59 162.43 38.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.48 -71.03 0.38 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 66.23 49.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.97 154.45 49.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 51.52 44.03 29.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.046 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 12' ' ' THR . 8.2 p -77.22 141.72 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.433 ' N ' HG23 ' A' ' 11' ' ' VAL . 9.8 t -78.54 141.92 61.36 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.554 0.692 . . . . 0.0 111.154 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -0.32 6.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -89.23 -28.1 20.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -84.49 -30.17 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -50.78 -50.31 56.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -73.38 -49.82 25.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.69 -22.21 3.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.1 m -63.79 -39.81 95.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' CG ' ' N ' ' A' ' 21' ' ' MET . 0.1 OUTLIER -69.62 -42.03 74.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.403 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 24.0 mmm -61.32 -30.83 70.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -82.9 -27.46 30.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -75.85 -68.55 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -102.86 -64.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.63 -146.24 17.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -147.5 117.41 7.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 110.949 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -102.64 107.76 18.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -64.57 111.33 5.44 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.667 0.746 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.438 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 53.9 Cg_endo -69.68 -43.18 2.88 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.722 2.281 . . . . 0.0 112.365 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.2 m -45.7 -42.39 11.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -55.9 -33.26 64.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 29' ' ' PRO . 32.4 pttt -98.41 28.37 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -122.53 -34.99 3.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -99.24 -47.36 5.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -66.91 -43.5 83.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -114.13 97.12 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -154.94 178.03 10.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 39' ' ' ASN . 9.6 tp-100 -51.43 127.92 21.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 38' ' ' GLN . 12.3 m-20 -35.49 103.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.5 p -96.06 139.85 31.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.94 162.61 36.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.5 p -138.88 135.39 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 110.823 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 m -133.64 119.93 20.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.55 -47.38 2.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.51 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 t -114.15 -46.26 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.378 . . . . 0.0 110.866 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.0 p -169.42 139.3 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -126.46 150.75 17.84 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.5 t -154.41 155.78 35.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -141.75 148.97 39.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.826 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.42 96.98 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.8 p -122.9 168.73 11.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 m -128.22 170.88 12.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.817 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.38 130.9 10.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 147.69 63.68 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.359 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 p -52.3 149.38 10.18 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.573 0.702 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 96.77 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -103.35 88.2 3.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 50.0 m -158.03 129.02 6.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -76.11 -52.75 9.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.34 117.85 9.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 p -151.32 136.4 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -105.06 131.93 51.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.79 123.05 42.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -115.04 153.23 31.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.4 ' HB2' ' NH1' ' A' ' 65' ' ' ARG . 15.5 ttm105 -105.86 97.86 7.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.5 m -124.17 160.93 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -99.36 154.02 18.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.48 128.78 45.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.973 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mp -93.71 -51.03 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 146.48 166.4 12.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.457 ' SD ' ' CD ' ' A' ' 155' ' ' GLU . 11.1 ttp -87.72 142.39 27.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.436 HD11 ' C ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -140.43 127.04 12.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.568 0.699 . . . . 0.0 110.944 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.428 ' N ' HD11 ' A' ' 72' ' ' LEU . 53.4 Cg_endo -69.78 152.27 69.17 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.706 2.27 . . . . 0.0 112.334 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 28.8 m -136.51 174.25 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -111.39 -18.22 12.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -131.42 143.25 48.45 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.566 ' HD3' ' CE2' ' A' ' 154' ' ' PHE . 53.5 Cg_endo -69.73 -23.74 30.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.622 2.215 . . . . 0.0 112.366 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.6 m -138.3 175.62 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.7 124.97 4.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.6 mmt -54.9 -62.4 1.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -42.51 -42.98 3.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.3 m -63.91 -39.46 94.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.45 -62.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -44.94 -30.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.496 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 16.7 t -56.74 -44.54 81.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.03 -50.43 62.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 71.6 mt -51.22 -56.6 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.53 -34.93 73.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 85' ' ' SER . 19.0 m-20 -60.02 -59.12 5.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 72' ' ' LEU . 1.9 mm? -66.22 -38.36 87.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.6 mtp -51.7 -47.77 63.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.407 HG21 ' N ' ' A' ' 93' ' ' SER . 3.8 t -80.37 -18.85 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.407 ' N ' HG21 ' A' ' 92' ' ' THR . 38.0 t -69.29 -54.57 13.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.0 m -119.95 -177.66 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.415 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 28.8 m -95.04 168.59 10.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.817 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.521 ' HA ' ' CH2' ' A' ' 99' ' ' TRP . 72.7 tttt -67.08 -33.43 75.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -87.07 -29.64 21.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -57.07 -23.51 47.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.535 ' CZ3' ' CE3' ' A' ' 160' ' ' TRP . 10.5 m0 -68.53 120.17 73.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.55 0.69 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 140.87 43.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.636 2.224 . . . . 0.0 112.325 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.1 m -72.49 137.93 46.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.7 m -145.16 155.34 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -102.73 125.67 49.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 48.7 ttm -96.35 132.88 41.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -109.63 140.16 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.6 41.75 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.6 149.21 25.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.5 t0 47.61 42.6 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 48.59 30.26 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.6 m -118.0 144.54 45.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.8 t -101.56 129.4 52.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.414 ' CG2' HG23 ' A' ' 122' ' ' VAL . 9.7 m -143.94 106.63 4.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 49.0 t -76.29 93.6 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 9.2 mm -82.25 152.35 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.2 t -87.73 131.49 34.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.86 -42.45 84.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -59.59 -42.08 91.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -131.44 120.33 22.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -66.32 -33.55 75.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -87.89 37.11 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -127.09 101.87 6.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.414 HG23 ' CG2' ' A' ' 112' ' ' THR . 55.7 t -90.72 88.51 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.9 mt -56.44 -37.71 70.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 77.5 t -149.93 127.86 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -113.12 103.25 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.07 149.99 48.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -113.46 176.15 5.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.8 m -81.33 -19.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -78.38 -24.24 46.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -91.89 -24.5 19.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.6 tt -58.33 126.75 28.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 78.4 p -96.81 -55.91 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -137.03 149.06 47.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 2.7 ptp -150.61 120.48 7.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -150.69 -170.8 18.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.1 143.98 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 111.174 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -78.61 -169.59 36.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -50.38 -34.14 23.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.76 159.74 14.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 31.5 m -88.11 -1.45 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 22.9 m80 -106.88 9.66 30.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.01 109.22 15.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -122.49 132.58 54.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -137.57 149.18 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.452 ' C ' ' CD1' ' A' ' 145' ' ' PHE . 6.6 p90 -138.63 143.25 39.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 56.8 mt -105.77 128.02 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.9 ptm -118.86 161.49 20.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -98.98 108.27 20.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 81.9 p -83.17 -43.53 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -119.21 -145.3 7.6 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -72.24 -56.19 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.758 0.313 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -124.02 11.4 8.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -83.45 133.55 34.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 77' ' ' PRO . 1.4 m-85 -123.36 122.07 37.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.457 ' CD ' ' SD ' ' A' ' 71' ' ' MET . 3.1 tp10 -105.35 124.08 48.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 1.8 t -97.99 131.83 44.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . 0.496 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 72.0 m-70 -129.11 132.6 47.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 13.6 t -111.18 150.41 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 36.3 m-85 -150.84 144.48 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.535 ' CE3' ' CZ3' ' A' ' 99' ' ' TRP . 25.8 t-105 -95.15 121.85 37.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 28.0 m -102.98 159.91 15.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.536 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 50.1 mt-10 -157.12 148.05 16.48 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.4 Cg_endo -69.79 1.05 5.52 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.329 0.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.494 ' N ' ' OD1' ' A' ' 164' ' ' ASN . 5.1 p-10 -168.16 170.55 10.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -83.36 -13.32 55.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.07 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -51.34 -43.78 61.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.074 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -60.74 -58.6 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 169' ' ' SER . 74.1 t -65.49 -69.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 168' ' ' VAL . 66.3 p -35.32 -34.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 168' ' ' VAL . 7.2 tp10 -74.98 -52.44 11.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.58 -34.44 58.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 92.5 t -72.63 -52.81 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -47.64 -46.25 28.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.16 94.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -52.63 -46.28 66.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.896 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 p -161.17 122.74 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.941 0.4 . . . . 0.0 110.831 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -97.97 132.35 43.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.71 104.92 3.21 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -87.9 131.85 34.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.894 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -100.68 -61.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.54 -80.17 0.36 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -44.8 164.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.97 35.37 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.76 50.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.418 ' HB ' ' NH2' ' A' ' 16' ' ' ARG . 86.9 t -43.45 137.1 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.45 146.86 38.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.564 0.697 . . . . 0.0 111.15 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -2.39 10.11 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.334 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.63 -21.52 17.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.6 -25.34 18.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' NH2' ' HB ' ' A' ' 11' ' ' VAL . 19.2 mmt180 -50.18 -40.41 46.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -82.2 -58.83 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.7 mt -45.6 -28.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -51.2 -49.97 59.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.8 pttt -47.32 -34.74 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.2 mtp -75.52 -41.31 55.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -70.13 -21.88 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -87.44 -53.99 4.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -114.54 -61.31 1.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.69 -151.86 17.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.56 ' CE2' ' HG2' ' A' ' 173' ' ' GLN . 1.2 t80 -141.01 114.25 8.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -104.09 107.91 19.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 45.1 t-20 -72.78 113.19 19.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.605 0.717 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -44.53 1.98 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.649 2.232 . . . . 0.0 112.335 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.4 m -40.16 -42.7 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -48.37 -43.51 33.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -42.3 95.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -74.82 -27.05 60.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -65.21 -42.61 93.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -46.09 -58.27 3.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -85.23 91.71 8.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' GLN . 43.7 tpp -99.22 -25.67 14.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 37' ' ' MET . 1.0 OUTLIER 36.65 42.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -61.48 114.45 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 t 44.54 43.46 6.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.0 82.44 0.3 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -62.95 105.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.6 m 51.48 45.38 28.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.83 125.83 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.2 p -57.94 135.67 56.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.0 p -160.55 161.55 32.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.01 -92.94 0.21 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.4 t 52.37 39.5 27.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 110.883 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 m -86.25 166.47 15.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.19 -133.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.1 m -110.06 170.66 7.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.6 t -87.7 140.8 29.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.68 171.57 47.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -178.05 2.16 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.364 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.3 p -109.04 135.16 20.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.603 0.716 . . . . 0.0 111.121 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 176.09 7.24 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.258 . . . . 0.0 112.321 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm -78.72 148.27 33.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.8 m -135.28 113.68 11.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.124 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -71.26 -51.01 26.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.9 tp -79.23 129.43 34.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.5 p -163.81 146.87 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -119.93 139.93 51.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -127.81 115.9 19.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -113.45 138.6 49.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -87.78 105.48 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.8 m -129.04 172.99 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -112.34 149.72 32.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -96.0 129.93 43.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 mp -98.35 -53.15 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 143.28 163.96 10.04 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.536 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.438 ' HB2' ' CE1' ' A' ' 157' ' ' HIS . 14.5 ttp -84.71 146.21 27.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.469 HD13 ' N ' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -137.53 128.28 15.92 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.917 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.469 ' N ' HD13 ' A' ' 72' ' ' LEU . 54.5 Cg_endo -69.7 122.98 9.67 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.349 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.7 m -109.51 168.29 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -100.32 -25.23 14.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -134.24 144.71 52.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.576 0.703 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.4 ' HD3' ' CE2' ' A' ' 154' ' ' PHE . 53.3 Cg_endo -69.81 -23.01 31.05 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.7 m -132.15 161.65 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.16 122.73 2.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.8 mmt -61.05 -45.22 95.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.779 0.323 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.45 -19.41 47.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.5 m -88.54 -37.92 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 tp -69.43 -55.58 9.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -50.0 -30.52 10.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.491 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 11.2 t -60.91 -37.37 82.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.66 -47.91 57.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.459 ' O ' ' CG ' ' A' ' 91' ' ' MET . 77.7 mt -53.05 -56.42 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.73 -33.23 71.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 85' ' ' SER . 18.1 m-20 -60.59 -70.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.458 ' N ' HD21 ' A' ' 90' ' ' LEU . 3.9 mm? -57.11 -32.18 66.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 87' ' ' ILE . 40.6 mmm -60.38 -32.59 71.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.4 p -87.82 -40.7 13.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.2 m -59.32 -50.8 72.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.2 m -120.4 169.63 10.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.9 m -105.41 179.18 4.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.564 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 17.0 tptp -66.39 -36.13 82.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -73.83 -20.05 60.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -77.38 -29.36 53.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.564 ' CE3' ' HA ' ' A' ' 96' ' ' LYS . 10.4 m0 -69.03 111.78 9.54 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.698 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 138.5 38.06 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.266 . . . . 0.0 112.334 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 m -67.33 127.3 32.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 31.6 m -135.47 149.07 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -96.56 120.35 36.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.7 ttm -89.71 133.48 34.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -112.54 139.12 48.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.6 t -129.15 44.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.89 148.27 23.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 t70 49.25 39.48 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 52.65 30.49 8.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.419 HG22 ' CG ' ' A' ' 127' ' ' ARG . 28.6 m -117.78 142.64 47.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.6 t -106.31 113.87 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 99.0 m -128.16 119.18 24.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.86 99.45 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 13.7 mm -90.32 150.64 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -81.72 124.04 29.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.81 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.401 ' O ' ' CD ' ' A' ' 116' ' ' GLU . 1.7 tm-20 -54.32 -20.25 6.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.04 -45.31 34.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -141.79 136.41 30.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.4 -43.48 81.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 0.6 OUTLIER -62.23 -19.59 63.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -75.73 85.91 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 0.3 OUTLIER -88.83 91.27 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.153 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.41 -67.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 90.8 t -117.02 144.94 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -133.23 95.2 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.2 t -117.32 163.87 15.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.419 ' CG ' HG22 ' A' ' 110' ' ' THR . 17.9 mtt-85 -128.9 173.74 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.482 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 30.9 m -78.7 -33.15 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.1 mtt-85 -62.07 -33.67 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -87.69 -26.94 22.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.445 HD23 ' CE ' ' A' ' 134' ' ' MET . 2.0 tt -53.39 121.29 7.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 88.9 p -92.39 -61.0 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -133.97 146.12 50.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.445 ' CE ' HD23 ' A' ' 131' ' ' LEU . 3.5 ptp -150.74 116.15 5.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -144.27 -173.56 15.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.4 t -122.33 145.57 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 111.135 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -79.11 -169.91 37.98 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -48.02 -44.64 31.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.762 0.315 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -89.41 146.3 24.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 30.4 m -85.27 18.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 13.3 m80 -117.78 13.93 14.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 71.2 p -132.69 112.08 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -117.42 128.2 54.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -131.3 148.47 52.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 6.7 p90 -140.01 134.18 31.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.3 mt -99.86 123.91 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.8 ptm -111.16 170.58 8.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -110.43 119.44 39.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 59.0 p -104.45 -45.02 4.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -115.08 -140.31 7.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -82.71 -61.39 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -117.86 11.63 13.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -87.89 138.03 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.4 ' CE2' ' HD3' ' A' ' 77' ' ' PRO . 2.1 m-85 -137.08 133.72 35.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -110.96 125.02 53.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 6.2 t -104.37 108.71 20.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' HIS . . . . . 0.438 ' CE1' ' HB2' ' A' ' 71' ' ' MET . 87.2 m-70 -104.1 126.59 51.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 41.6 t -102.72 144.34 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -143.57 142.68 31.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 30.3 t-105 -98.07 131.17 44.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 66.1 m -116.21 158.96 22.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.543 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 54.1 mt-10 -148.69 146.6 22.49 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.65 0.738 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.1 Cg_endo -69.75 1.5 5.27 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.638 -1.817 . . . . 0.0 112.379 -0.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.457 ' N ' ' OD1' ' A' ' 164' ' ' ASN . 6.2 p-10 -171.81 173.43 4.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -94.62 27.04 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -74.87 -56.3 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.058 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -55.48 -52.99 61.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 94.2 t -58.04 -63.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 82.4 p -44.2 -45.64 8.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.31 -42.22 93.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -60.54 -44.07 96.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.069 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.79 -37.37 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . 0.56 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 4.3 mt-30 -55.07 -63.5 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.67 -42.37 34.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -41.19 -48.79 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 64.8 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.919 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.519 ' CD2' HG21 ' A' ' 136' ' ' VAL . 24.2 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.808 0.337 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 t -59.3 -60.37 3.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -54.43 -30.96 54.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.461 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 10.0 mtp -67.78 -42.14 82.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -73.13 -27.26 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -70.95 -65.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.401 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -103.42 -60.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.05 -149.73 17.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.478 ' CE1' ' SG ' ' A' ' 176' ' ' CYS . 2.3 t80 -143.99 108.16 4.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 110.933 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.531 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 21.7 mp0 -104.65 122.42 45.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 32.4 t-20 -65.17 123.16 83.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -41.12 4.59 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.3 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.784 HG23 ' HB2' ' A' ' 107' ' ' ALA . 8.1 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.817 0.341 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -120.27 133.11 55.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.02 124.51 50.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -120.44 130.54 54.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -80.78 106.17 12.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.0 m -132.24 169.57 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -105.82 159.85 15.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -106.68 131.07 54.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.635 HD22 HG11 ' A' ' 158' ' ' VAL . 4.8 mp -99.64 -39.95 8.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.35 172.1 13.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.5 ' HG3' ' CE1' ' A' ' 157' ' ' HIS . 18.8 ttp -89.87 146.99 24.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.486 HD22 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -141.57 124.24 9.49 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.611 0.719 . . . . 0.0 110.879 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.486 ' HD2' HD22 ' A' ' 72' ' ' LEU . 53.4 Cg_endo -69.75 137.2 34.92 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.292 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.0 m -120.69 177.99 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -107.87 -22.48 12.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -134.86 146.78 60.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -25.64 28.26 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.832 HG12 ' HB2' ' A' ' 133' ' ' PHE . 21.9 m -133.6 168.79 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.16 103.49 2.18 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.464 ' HA ' ' CE ' ' A' ' 80' ' ' MET . 2.8 mmt -41.68 -57.52 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.751 0.31 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -42.78 -42.68 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -62.95 -49.33 75.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.48 -54.48 46.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -48.64 -26.84 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 t -67.55 -45.48 75.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.41 77.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.4 HG22 ' SD ' ' A' ' 91' ' ' MET . 43.7 mt -53.08 -53.95 19.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.23 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -62.71 -58.24 8.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 90' ' ' LEU . 4.3 mm? -66.93 -51.44 55.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.4 ' SD ' HG22 ' A' ' 87' ' ' ILE . 58.0 mtp -40.05 -43.34 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.8 p -73.41 -37.1 66.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.4 t -64.58 -51.03 64.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.1 m -119.3 151.79 37.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.474 ' O ' ' CE2' ' A' ' 99' ' ' TRP . 3.6 m -81.1 174.21 11.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.55 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 75.4 tttt -62.64 -38.4 90.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -81.82 -34.73 30.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -52.73 -29.75 28.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.55 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 7.5 m0 -68.39 121.37 80.34 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.546 0.688 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 167.53 24.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t -93.53 143.15 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 34.6 m -153.45 146.94 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -98.19 126.33 43.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 50.2 ttm -96.23 128.56 43.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -105.62 132.1 52.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 106' ' ' VAL . 11.4 t -118.99 48.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.784 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -92.58 146.91 23.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.068 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.1 t70 46.27 49.0 13.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 175' ' ' ALA . . . 43.69 31.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.073 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.66 HG23 ' CD ' ' A' ' 127' ' ' ARG . 86.7 m -119.5 142.7 48.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.9 t -104.85 121.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.472 ' CG2' HG13 ' A' ' 122' ' ' VAL . 15.2 m -133.53 104.42 6.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.671 HG12 HD12 ' A' ' 123' ' ' LEU . 62.3 t -69.52 95.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 25.0 mm -84.0 146.86 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.619 ' HA ' HD11 ' A' ' 123' ' ' LEU . 1.2 t -76.72 136.13 39.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -66.53 -38.14 86.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -68.22 -36.25 79.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -135.55 123.82 23.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -67.29 -42.57 83.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.81 41.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -134.29 86.41 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.472 HG13 ' CG2' ' A' ' 112' ' ' THR . 53.9 t -72.2 99.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.671 HD12 HG12 ' A' ' 113' ' ' VAL . 9.4 mt -64.7 -45.44 86.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 52.9 t -145.37 135.89 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -117.91 110.5 17.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 4.6 t -126.14 147.55 49.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.66 ' CD ' HG23 ' A' ' 110' ' ' THR . 4.8 mmt85 -118.48 142.22 47.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.597 HG11 ' C ' ' A' ' 175' ' ' ALA . 6.9 m -51.05 -23.94 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -65.68 -47.14 76.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -73.54 -32.17 64.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.593 HD21 ' HB3' ' A' ' 134' ' ' MET . 2.7 tt -50.01 125.58 12.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 63.3 p -100.74 -57.5 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.832 ' HB2' HG12 ' A' ' 78' ' ' VAL . 18.3 t80 -134.59 153.64 51.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.593 ' HB3' HD21 ' A' ' 131' ' ' LEU . 5.7 ptp -161.52 129.99 4.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -164.24 -175.57 35.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.519 HG21 ' CD2' ' A' ' 18' ' ' LEU . 60.2 t -107.55 136.32 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 111.169 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -75.86 -154.61 5.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -59.97 -40.61 89.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -91.89 152.25 20.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 31.3 m -80.27 -10.36 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 3.9 m80 -102.19 19.06 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.2 p -124.46 106.74 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -124.75 128.42 48.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.432 ' HB2' HG22 ' A' ' 158' ' ' VAL . . . -133.63 152.05 51.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.504 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 27.7 p90 -138.71 129.98 27.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.413 ' CG2' ' HB3' ' A' ' 154' ' ' PHE . 58.9 mt -96.0 132.96 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.3 ptm -120.93 171.71 8.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -114.68 111.31 21.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.421 HG21 ' OE2' ' A' ' 155' ' ' GLU . 14.5 p -90.61 -4.37 56.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 104.95 163.79 24.01 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 61.67 37.11 16.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 56.44 36.28 27.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -109.89 134.69 51.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.413 ' HB3' ' CG2' ' A' ' 146' ' ' ILE . 4.2 m-85 -128.37 128.86 45.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.441 ' CD ' ' SD ' ' A' ' 71' ' ' MET . 84.3 mt-10 -111.51 117.89 34.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 11.9 t -94.31 109.79 21.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' HIS . . . . . 0.5 ' CE1' ' HG3' ' A' ' 71' ' ' MET . 89.2 m-70 -102.31 127.76 49.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.635 HG11 HD22 ' A' ' 69' ' ' LEU . 51.1 t -103.38 145.7 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 0.455 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 44.0 m-85 -144.62 136.35 25.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 25.4 t-105 -92.9 122.01 34.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.668 ' SG ' HG21 ' A' ' 168' ' ' VAL . 77.4 m -111.92 151.68 28.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.552 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 16.6 mm-40 -141.91 151.42 59.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.649 0.738 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.0 Cg_endo -69.74 0.17 5.86 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.374 -0.024 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.482 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 4.5 p30 -168.57 174.95 6.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -97.8 29.69 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.139 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -79.58 -45.08 19.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.23 -67.02 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.668 HG21 ' SG ' ' A' ' 161' ' ' CYS . 91.3 t -38.94 -68.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.4 t -45.67 -57.62 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 170' ' ' GLU . . . . . 0.412 ' HA ' ' CG ' ' A' ' 173' ' ' GLN . 13.6 tt0 -45.55 -52.36 10.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -57.54 -30.75 65.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 172' ' ' VAL . . . . . 0.426 ' O ' ' HB3' ' A' ' 175' ' ' ALA . 93.4 t -78.07 -20.13 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' GLN . . . . . 0.412 ' CG ' ' HA ' ' A' ' 170' ' ' GLU . 14.2 mm-40 -57.53 -58.29 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.46 -24.98 66.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.608 ' O ' ' HB1' ' A' ' 109' ' ' ALA . . . -52.72 -37.22 58.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 176' ' ' CYS . . . . . 0.478 ' SG ' ' CE1' ' A' ' 26' ' ' TYR . 98.4 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.799 HD11 ' HB2' ' A' ' 166' ' ' ALA . 22.2 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.854 0.359 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -62.22 -58.27 8.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -32.21 32.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 mtt -65.52 -36.58 84.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -83.21 -12.7 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -92.8 -59.58 2.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -111.71 -58.96 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.73 -168.96 13.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -133.14 112.65 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.903 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.557 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 19.5 mp0 -102.93 125.39 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 19.5 t-20 -56.45 127.87 72.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.685 0.755 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -34.72 14.03 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.719 2.279 . . . . 0.0 112.355 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.8 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.659 HG22 ' HB2' ' A' ' 107' ' ' ALA . 55.3 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.831 0.348 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -101.42 133.12 46.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -126.06 115.25 19.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -110.94 128.54 55.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -81.48 105.93 13.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.9 m -132.64 179.89 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -113.36 159.66 19.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.576 ' CE2' HG11 ' A' ' 113' ' ' VAL . 0.5 OUTLIER -108.77 129.05 55.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 -179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.546 HD22 HG11 ' A' ' 158' ' ' VAL . 5.0 mp -98.76 -49.34 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 138.3 163.62 9.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.472 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 11.6 tmm? -84.18 138.67 32.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.545 HD22 ' HD2' ' A' ' 73' ' ' PRO . 0.5 OUTLIER -131.05 125.13 20.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.545 ' HD2' HD22 ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.77 133.87 26.6 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.347 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.3 m -120.59 -178.76 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -108.65 -28.94 8.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -126.58 144.32 49.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.667 0.746 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -23.61 30.62 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.563 HG12 ' HB2' ' A' ' 133' ' ' PHE . 25.2 m -132.15 170.84 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.26 128.57 4.44 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.49 -47.89 79.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -54.41 -21.47 9.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.0 m -87.14 -34.28 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.411 HD21 ' O ' ' A' ' 135' ' ' GLY . 3.6 tp -68.3 -62.82 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -50.55 -27.05 5.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 t -62.08 -47.09 86.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.15 72.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.8 mt -52.87 -55.12 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.84 -35.01 77.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.19 -54.34 48.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.431 ' CD2' ' HB2' ' A' ' 72' ' ' LEU . 1.8 mm? -70.07 -40.68 74.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 56.6 mmm -51.08 -48.01 61.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 58.0 p -73.97 -23.91 59.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.9 m -67.25 -53.82 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.0 m -120.74 -177.38 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t -99.92 169.24 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.463 ' HA ' ' CE2' ' A' ' 99' ' ' TRP . 27.0 tttt -64.06 -27.69 69.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -81.74 -45.41 15.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -44.8 -35.53 2.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.463 ' CE2' ' HA ' ' A' ' 96' ' ' LYS . 11.4 m0 -56.65 109.68 1.86 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.562 0.696 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.6 40.59 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -67.58 139.25 56.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 28.5 m -148.06 145.26 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -94.07 121.7 35.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 46.3 ttm -88.24 129.22 35.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -105.96 135.78 46.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -128.11 41.24 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.659 ' HB2' HG22 ' A' ' 61' ' ' VAL . . . -87.75 152.21 22.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.3 t70 46.57 40.3 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.511 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 50.9 34.63 10.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.057 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.0 m -125.05 142.16 51.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.088 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.6 t -103.75 118.84 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 51.9 m -131.38 107.45 8.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.576 HG11 ' CE2' ' A' ' 68' ' ' TYR . 84.5 t -72.43 97.71 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.9 mm -90.49 141.96 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.678 ' OG ' HD11 ' A' ' 123' ' ' LEU . 2.0 m -70.89 170.03 13.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -93.42 -22.32 18.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -68.61 -36.3 78.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -147.04 166.06 27.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -95.78 -21.77 17.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -95.31 24.71 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.478 ' OE1' ' CB ' ' A' ' 115' ' ' SER . 15.4 tt0 -103.87 76.85 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 122' ' ' VAL . 0.8 OUTLIER -70.61 88.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.678 HD11 ' OG ' ' A' ' 115' ' ' SER . 33.5 mt -66.55 -61.54 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.484 HG21 ' OH ' ' A' ' 68' ' ' TYR . 79.4 t -127.9 126.45 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -110.86 97.31 6.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.436 ' C ' ' HD2' ' A' ' 127' ' ' ARG . 5.7 t -113.04 150.28 32.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.436 ' HD2' ' C ' ' A' ' 126' ' ' CYS . 1.4 mpt_? -121.26 154.18 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.453 HG23 ' HD2' ' A' ' 129' ' ' ARG . 11.7 m -66.26 -36.67 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.486 ' CD ' ' H ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -67.68 -22.81 65.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -94.66 -21.92 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 132' ' ' SER . 2.1 tt -56.57 152.56 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.601 ' N ' HD23 ' A' ' 131' ' ' LEU . 43.9 p -115.78 -51.67 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.563 ' HB2' HG12 ' A' ' 78' ' ' VAL . 11.6 t80 -143.46 155.94 44.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.413 ' HE2' HD22 ' A' ' 131' ' ' LEU . 3.0 ptp -157.61 113.0 2.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.411 ' O ' HD21 ' A' ' 83' ' ' LEU . . . -142.16 179.14 20.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 91.9 t -109.66 146.2 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.906 0.384 . . . . 0.0 111.123 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -78.76 -151.21 5.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -65.75 -36.86 84.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.327 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.47 156.13 19.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 165' ' ' ALA . 17.4 m -76.87 4.5 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 42.0 m-70 -105.66 13.26 30.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.433 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 2.9 p -125.57 108.41 11.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -120.92 131.92 54.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -141.78 152.0 43.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 9.2 p90 -145.05 140.42 28.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 51.3 mt -100.73 130.34 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 10.8 ptm -119.54 150.35 40.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -96.89 113.44 24.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.618 HG21 ' OE2' ' A' ' 155' ' ' GLU . 39.9 p -86.32 -46.73 10.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 153.02 163.75 11.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 59.02 41.67 20.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 56.86 40.89 28.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -110.77 138.9 46.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -130.6 120.04 23.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.618 ' OE2' HG21 ' A' ' 149' ' ' THR . 34.3 mt-10 -105.61 124.64 49.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.8 t -100.44 112.96 25.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' HIS . . . . . 0.52 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 94.2 m-70 -103.1 131.2 50.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.546 HG11 HD22 ' A' ' 69' ' ' LEU . 52.6 t -108.99 147.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 30.0 m-85 -150.01 132.12 15.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.561 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 33.1 t-105 -86.93 122.98 31.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.36 154.66 25.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.542 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 49.7 mt-10 -153.48 153.76 29.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.599 0.714 . . . . 0.0 110.91 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.5 Cg_endo -69.8 -1.98 6.97 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.292 0.056 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 164' ' ' ASN . 4.2 p-10 -160.77 170.75 20.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -100.57 22.29 12.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.799 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -73.7 -52.04 14.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -61.22 -48.89 79.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.7 -62.39 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 49.7 m -49.64 -44.08 47.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -64.24 -42.95 96.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -64.05 -33.19 75.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 94.0 t -78.45 -35.26 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -71.54 -51.85 21.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -55.27 -41.57 72.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.511 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -50.61 -48.59 57.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 85.1 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.902 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.455 HD13 ' HB ' ' A' ' 140' ' ' VAL . 20.1 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.762 0.315 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 22' ' ' GLN . 4.2 m -51.43 -71.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.3 -32.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.1 mmm -76.4 -35.46 58.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 19' ' ' SER . 45.2 mt-30 -77.07 -15.3 59.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -87.67 -62.57 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -107.31 -51.4 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.96 -161.21 14.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -132.15 111.96 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.926 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.551 ' OE1' HG11 ' A' ' 78' ' ' VAL . 27.1 mt-10 -98.9 108.73 21.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 14.8 t-20 -59.96 112.17 5.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.74 30.45 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.386 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.554 HG21 ' HD2' ' A' ' 129' ' ' ARG . 94.7 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.49 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.3 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.736 0.303 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -106.58 126.51 52.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -117.08 116.76 27.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -111.71 140.59 46.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -93.63 93.03 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.1 m -119.16 -175.73 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -118.82 163.34 17.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.438 ' CD2' HG11 ' A' ' 113' ' ' VAL . 0.5 OUTLIER -109.57 128.77 55.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.673 HD22 ' CG1' ' A' ' 158' ' ' VAL . 5.5 mp -97.96 -52.49 3.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.59 166.76 10.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.521 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.49 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 10.1 tmm? -85.6 148.84 25.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.7 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -141.08 127.89 11.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.632 0.729 . . . . 0.0 110.864 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.7 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.82 124.87 11.48 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.31 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 m -104.88 177.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -97.89 -33.73 11.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -134.03 161.07 65.97 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.567 0.699 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -21.45 33.29 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.653 2.235 . . . . 0.0 112.374 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.714 HG12 ' HB2' ' A' ' 133' ' ' PHE . 33.2 m -137.56 170.21 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.19 113.77 2.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.3 mmt -55.83 -51.62 66.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -50.86 -32.64 20.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.6 m -74.91 -45.65 41.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.63 -53.34 59.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -49.19 -30.81 7.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.2 t -64.64 -43.03 94.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.6 -50.06 74.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.431 ' HA ' HG21 ' A' ' 158' ' ' VAL . 49.4 mt -54.34 -55.18 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.582 ' O ' HG23 ' A' ' 92' ' ' THR . 27.7 mt-10 -63.26 -35.07 79.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -54.19 -62.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 93' ' ' SER . 3.2 mm? -63.26 -49.71 73.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 49.7 mmm -38.19 -52.23 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 88' ' ' GLU . 20.8 p -70.59 -30.57 67.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' LEU . 47.5 m -65.56 -53.01 48.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.7 m -121.09 152.17 38.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.4 p -75.89 164.52 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.504 ' HG3' ' CZ3' ' A' ' 99' ' ' TRP . 48.5 tttm -59.45 -29.43 67.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -85.1 -28.9 25.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -58.52 -38.71 78.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.504 ' CZ3' ' HG3' ' A' ' 96' ' ' LYS . 3.6 m0 -57.44 118.64 26.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.11 41.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.315 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.1 m -71.9 129.37 38.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.2 165.79 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -113.04 119.12 36.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.0 ttm -88.28 134.73 33.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -116.45 130.38 56.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 106' ' ' VAL . 10.9 t -114.05 35.07 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.49 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -78.21 151.59 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 t0 42.82 46.77 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.74 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 42.79 37.36 1.04 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.4 m -123.36 146.03 48.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.2 t -101.63 113.21 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.834 ' CG2' HG23 ' A' ' 122' ' ' VAL . 3.0 m -126.81 112.74 15.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.438 HG11 ' CD2' ' A' ' 68' ' ' TYR . 85.1 t -83.12 84.85 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' A' ' 122' ' ' VAL . 20.4 mm -73.06 153.59 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.2 t -87.38 153.75 21.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.63 -43.77 58.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -68.21 -42.83 79.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -120.27 141.82 49.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -96.39 -24.46 16.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -103.09 39.79 1.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 122' ' ' VAL . 6.4 tp10 -104.29 -27.43 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.834 HG23 ' CG2' ' A' ' 112' ' ' THR . 7.2 p 34.63 54.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 122' ' ' VAL . 7.4 mt -36.02 -57.19 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 74.3 t -124.77 145.22 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.41 ' OE1' HG21 ' A' ' 122' ' ' VAL . 20.4 tt0 -138.81 105.41 5.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.6 t -130.52 138.7 50.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -91.18 163.53 14.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.74 HG13 ' O ' ' A' ' 109' ' ' ALA . 19.7 m -71.75 -36.03 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.554 ' HD2' HG21 ' A' ' 30' ' ' THR . 10.8 mmm180 -65.23 -36.39 84.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -73.82 -29.49 62.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.444 HD21 ' HB3' ' A' ' 134' ' ' MET . 2.2 tt -52.27 133.85 34.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 89.5 p -94.46 -56.6 2.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.714 ' HB2' HG12 ' A' ' 78' ' ' VAL . 49.3 t80 -145.46 148.26 33.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.444 ' HB3' HD21 ' A' ' 131' ' ' LEU . 4.7 ptp -148.0 124.24 10.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -152.33 -178.45 27.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.0 t -114.17 138.2 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 111.155 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -74.5 -163.19 9.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -53.0 -44.81 67.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -85.81 156.74 20.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.455 ' HB ' HD13 ' A' ' 18' ' ' LEU . 27.3 m -84.41 -10.55 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.414 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 10.6 m-70 -101.3 18.11 20.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.421 ' HB ' HG21 ' A' ' 87' ' ' ILE . 19.9 p -124.09 106.23 10.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -123.07 131.07 53.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -136.95 149.63 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -136.59 142.11 43.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 20.5 mt -103.94 134.17 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.5 ptm -132.35 164.4 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -96.47 132.6 41.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.414 HG21 ' HG2' ' A' ' 155' ' ' GLU . 80.9 p -116.58 -38.13 3.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.106 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -122.59 -141.12 5.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -69.29 -63.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' GLN . . . . . 0.512 ' O ' ' CZ ' ' A' ' 154' ' ' PHE . 16.8 mt-30 -128.25 14.6 6.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -76.29 145.24 39.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.512 ' CZ ' ' O ' ' A' ' 152' ' ' GLN . 3.0 m-85 -132.97 123.09 25.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.516 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 0.2 OUTLIER -108.84 120.19 41.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.54 111.36 23.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -102.64 126.92 49.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.673 ' CG1' HD22 ' A' ' 69' ' ' LEU . 41.5 t -101.01 148.13 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -146.78 137.02 23.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.414 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 57.1 t-105 -87.46 117.41 26.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.545 ' SG ' HG21 ' A' ' 168' ' ' VAL . 68.8 m -109.38 139.8 43.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.538 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -142.01 153.77 64.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 0.0 110.892 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.5 Cg_endo -69.85 -0.51 6.31 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.328 0.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.483 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 48.5 p-10 -174.03 155.16 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 169' ' ' SER . . . -66.62 -24.87 66.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.43 ' HB3' ' ND2' ' A' ' 164' ' ' ASN . . . -39.05 -36.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -73.82 -46.84 42.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.545 HG21 ' SG ' ' A' ' 161' ' ' CYS . 89.8 t -76.79 -61.68 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 165' ' ' ALA . 44.2 p -40.94 -38.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -72.21 -54.21 10.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.19 -43.6 42.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 67.3 t -69.56 -39.52 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -61.15 -45.14 95.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -58.76 -40.6 84.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.075 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.35 53.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 19.9 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.79 0.329 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -62.97 -63.21 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -46.55 -37.58 8.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.3 mmt -58.15 -44.61 87.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -77.58 -39.64 44.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -51.58 -67.71 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -124.49 -31.47 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.57 -138.41 13.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -155.56 117.07 3.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.532 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 15.6 mp0 -106.13 117.6 34.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -57.56 119.42 32.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.633 0.73 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -23.58 30.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.5 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.775 0.322 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -115.08 132.25 56.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -119.45 125.42 48.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -118.38 137.27 53.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.1 ttp180 -89.6 99.02 12.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.8 m -123.8 -179.21 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -118.29 157.61 26.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -101.26 130.61 47.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.546 HD13 HG12 ' A' ' 158' ' ' VAL . 2.8 mp -99.49 -41.45 7.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.54 156.05 8.5 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.44 ' HG2' ' N ' ' A' ' 72' ' ' LEU . 20.9 ttp -77.3 148.48 35.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.568 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -139.02 126.52 13.22 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.644 0.735 . . . . 0.0 110.924 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.568 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.5 Cg_endo -69.77 125.43 12.13 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.25 . . . . 0.0 112.325 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.0 m -115.18 171.67 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -104.68 -25.95 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.5 mtt85 -127.09 143.13 45.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.453 ' HA ' HG21 ' A' ' 146' ' ' ILE . 53.6 Cg_endo -69.77 -21.63 33.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.872 HG12 ' HB2' ' A' ' 133' ' ' PHE . 15.0 m -137.69 171.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.24 119.44 3.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.575 ' CE ' HD22 ' A' ' 83' ' ' LEU . 5.7 mmt -51.89 -54.65 26.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.734 0.302 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -45.1 -35.01 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.9 m -76.95 -32.88 57.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.575 HD22 ' CE ' ' A' ' 80' ' ' MET . 2.5 tp -68.32 -61.91 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -53.34 -18.96 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.9 t -69.53 -45.71 68.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.48 -51.61 54.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.415 HG21 ' HB ' ' A' ' 142' ' ' THR . 56.8 mt -51.92 -51.61 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -65.04 -35.4 81.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.435 ' O ' HG22 ' A' ' 92' ' ' THR . 3.1 m120 -60.17 -55.11 37.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 90' ' ' LEU . 2.5 mm? -69.32 -40.18 77.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 29.6 mtp -52.59 -45.02 66.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 89' ' ' ASN . 2.2 t -80.48 -18.52 48.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.0 t -75.82 -47.22 26.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 m -123.67 179.71 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.464 ' O ' ' CD1' ' A' ' 99' ' ' TRP . 1.5 p -102.04 164.36 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.54 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 41.7 tttm -61.49 -32.22 72.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -82.17 -39.27 23.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -56.27 -17.96 9.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.54 ' CE3' ' HA ' ' A' ' 96' ' ' LYS . 30.1 m0 -74.48 116.59 54.66 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.518 0.675 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 143.7 51.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.384 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.5 m -76.67 137.12 39.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.1 m -142.99 150.34 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -97.12 118.67 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 59.9 ttm -89.37 132.22 35.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -109.09 141.8 40.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 106' ' ' VAL . 48.4 t -128.64 41.39 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.02 152.22 22.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t70 47.04 42.38 12.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.689 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 49.31 31.48 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.2 m -121.99 140.43 52.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 126' ' ' CYS . 93.3 t -101.9 112.34 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 36.9 m -124.27 116.1 22.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.144 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.639 HG21 ' CE2' ' A' ' 159' ' ' PHE . 96.1 t -81.55 98.26 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.1 mm -87.45 146.1 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.4 t -79.75 122.07 26.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -48.37 -21.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -59.71 -46.43 89.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -140.1 -176.52 4.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -109.45 -15.08 14.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -106.94 20.09 19.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -105.49 80.16 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 122' ' ' VAL . 0.8 OUTLIER -75.39 101.35 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mt -76.23 -59.39 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 43.1 t -126.01 121.17 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -105.59 95.04 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 111' ' ' VAL . 34.3 t -111.86 141.76 45.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -115.65 174.26 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 109' ' ' ALA . 29.6 m -83.53 -48.11 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.549 ' N ' HG23 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -57.63 -18.35 19.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -100.58 -25.11 14.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.803 HD23 ' N ' ' A' ' 132' ' ' SER . 3.7 tt -56.8 140.43 47.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.803 ' N ' HD23 ' A' ' 131' ' ' LEU . 14.8 m -102.58 -59.79 1.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.872 ' HB2' HG12 ' A' ' 78' ' ' VAL . 14.9 t80 -134.36 159.03 42.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.461 ' HE1' HD13 ' A' ' 131' ' ' LEU . 2.4 ptt? -161.67 124.74 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -154.57 -176.11 26.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.537 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 71.5 t -114.78 135.79 53.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.18 -163.64 0.45 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -59.97 -35.48 75.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -98.05 168.68 10.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 165' ' ' ALA . 35.4 m -90.77 0.74 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.484 ' HB3' ' CE2' ' A' ' 160' ' ' TRP . 21.5 m80 -107.63 13.72 26.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.415 ' HB ' HG21 ' A' ' 87' ' ' ILE . 31.8 p -125.43 113.72 17.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.415 ' CD1' ' OG ' ' A' ' 169' ' ' SER . 35.8 t80 -131.97 133.99 45.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.503 ' HB2' HG22 ' A' ' 158' ' ' VAL . . . -142.35 162.56 35.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.07 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -152.02 145.84 25.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.453 HG21 ' HA ' ' A' ' 77' ' ' PRO . 3.0 mp -102.72 140.77 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 17.1 ptm -129.94 147.3 51.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -93.79 103.17 15.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 70.0 p -88.71 25.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 75.83 163.24 13.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 62.64 42.7 8.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.826 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 45.86 33.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -103.53 131.37 50.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -123.33 122.28 37.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.527 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 2.4 mp0 -106.35 123.79 48.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.0 t -96.44 107.63 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -104.48 129.14 52.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.546 HG12 HD13 ' A' ' 69' ' ' LEU . 45.8 t -111.5 146.59 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 0.639 ' CE2' HG21 ' A' ' 113' ' ' VAL . 28.1 m-85 -146.13 131.47 18.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.484 ' CE2' ' HB3' ' A' ' 141' ' ' HIS . 36.7 t-105 -83.27 129.85 35.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.482 ' SG ' HG21 ' A' ' 168' ' ' VAL . 22.0 m -121.83 147.91 45.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 1.1 pp20? -146.08 156.62 50.8 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.647 0.737 . . . . 0.0 110.872 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.9 Cg_endo -69.71 -1.33 6.51 Favored 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.316 -0.034 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.486 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 13.8 p-10 -160.28 173.76 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -102.16 29.52 5.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -81.48 -46.49 14.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -63.4 -59.71 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.482 HG21 ' SG ' ' A' ' 161' ' ' CYS . 54.6 t -48.61 -72.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' SER . . . . . 0.415 ' OG ' ' CD1' ' A' ' 143' ' ' PHE . 3.5 m -40.11 -51.55 2.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -49.79 -54.87 16.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -54.04 -42.42 69.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.48 -36.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -65.26 -61.14 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -54.45 -41.38 69.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.067 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -47.08 -41.17 16.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.434 ' CD2' HG21 ' A' ' 136' ' ' VAL . 17.1 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.838 0.352 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.1 p -56.52 -72.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -44.33 -25.82 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.3 mtt -78.32 -43.69 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -71.59 -35.75 70.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -63.39 -67.1 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -109.69 -54.85 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.67 -153.08 16.73 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.524 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.464 ' CD1' ' NE2' ' A' ' 173' ' ' GLN . 29.2 t80 -141.82 110.89 6.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -102.23 125.45 48.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 29.1 t-20 -66.36 119.76 64.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.642 HG23 ' HB2' ' A' ' 107' ' ' ALA . 5.5 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -123.79 132.42 53.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -116.47 125.12 51.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -116.79 156.45 27.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -106.43 100.77 10.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' A' ' 161' ' ' CYS . 6.6 m -124.47 175.84 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -112.07 153.92 26.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -99.32 129.28 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.514 HD13 HG12 ' A' ' 158' ' ' VAL . 3.2 mp -99.6 -39.61 8.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.57 166.42 12.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.531 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.465 ' HB2' ' CE1' ' A' ' 157' ' ' HIS . 23.3 ttp -83.07 151.33 25.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.629 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -143.53 124.78 8.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 110.965 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.629 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.7 Cg_endo -69.73 127.91 15.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.338 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.66 165.68 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.87 -26.72 16.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -133.41 146.46 60.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -24.28 30.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.238 . . . . 0.0 112.378 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.1 m -128.14 173.38 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.23 117.48 3.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.8 mmt -53.07 -54.67 32.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -47.91 -42.73 27.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.5 m -60.26 -37.93 81.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 tp -70.36 -61.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -42.5 -33.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.0 t -60.88 -43.14 98.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.31 -53.64 45.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 48.0 mt -50.45 -55.88 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.11 -37.3 82.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -56.34 -61.97 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.55 ' CD2' HD23 ' A' ' 72' ' ' LEU . 4.4 mm? -61.89 -39.92 93.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 44.7 mmm -51.72 -42.29 62.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 71.4 p -79.7 -40.74 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.4 t -57.83 -53.61 56.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 m -109.23 -175.67 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 71.6 m -116.7 159.71 21.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.577 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 13.6 tttp -46.86 -47.13 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -69.53 -44.34 71.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -42.98 -40.47 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.577 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 4.7 m0 -59.94 111.0 3.27 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.542 0.687 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 99' ' ' TRP . 53.8 Cg_endo -69.74 143.91 52.44 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.643 2.229 . . . . 0.0 112.355 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.7 m -69.52 138.5 53.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.3 m -147.18 154.47 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -107.39 121.16 44.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 23.2 ttm -92.53 129.97 38.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 -100.09 131.49 46.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 106' ' ' VAL . 26.3 t -118.87 50.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.642 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -101.75 148.34 25.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.069 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 t70 43.73 50.38 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.694 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 41.61 34.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.455 HG23 ' HD2' ' A' ' 127' ' ' ARG . 96.5 m -119.52 135.17 54.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.4 t -101.98 112.81 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.698 HG23 HG13 ' A' ' 122' ' ' VAL . 57.5 m -127.46 107.61 10.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 82.6 t -69.85 94.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 21.8 mm -81.48 147.44 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -78.93 140.26 38.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.06 -45.57 70.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.427 ' C ' ' OD1' ' A' ' 118' ' ' ASN . 13.6 pttm -62.14 -35.93 80.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 117' ' ' LYS . 5.4 m-20 -135.07 120.79 19.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -68.48 -42.46 78.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -81.65 41.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -133.21 84.9 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.698 HG13 HG23 ' A' ' 112' ' ' THR . 55.1 t -71.64 103.23 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.5 mt -72.49 -50.71 24.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 91.1 t -133.47 131.82 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -117.77 108.72 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 18.8 t -127.63 153.56 46.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.455 ' HD2' HG23 ' A' ' 110' ' ' THR . 21.7 mmm-85 -123.08 134.66 54.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 109' ' ' ALA . 3.4 m -45.77 -24.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -64.85 -45.37 86.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.423 ' CD2' ' HB2' ' A' ' 127' ' ' ARG . 62.3 m-85 -75.27 -33.44 61.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.579 HD21 ' HB3' ' A' ' 134' ' ' MET . 2.4 tt -43.67 131.0 5.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.459 ' N ' HD23 ' A' ' 131' ' ' LEU . 27.5 p -102.73 -55.23 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -138.39 141.85 39.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.579 ' HB3' HD21 ' A' ' 131' ' ' LEU . 5.0 ptp -146.69 122.41 10.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -156.39 -177.2 29.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.535 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.434 HG21 ' CD2' ' A' ' 18' ' ' LEU . 97.6 t -112.05 137.7 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -75.93 -164.67 16.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -51.1 -45.4 61.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -84.95 152.8 23.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.831 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.9 m -79.58 -12.33 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 11.9 m-70 -102.21 19.59 18.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.802 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.0 p -118.74 105.08 11.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.197 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -118.49 129.95 55.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -138.75 142.78 38.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 19.8 p90 -140.75 130.68 24.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 21.4 mt -96.88 124.67 49.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 9.2 ptm -114.03 163.0 15.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -99.45 120.29 39.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 64.6 p -101.81 -44.29 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -121.88 -142.91 6.42 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -71.52 -67.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.741 0.305 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -118.13 24.8 10.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -91.95 131.05 37.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -128.54 120.68 27.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -107.32 122.36 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.0 t -102.52 110.02 21.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' HIS . . . . . 0.465 ' CE1' ' HB2' ' A' ' 71' ' ' MET . 88.8 m-70 -104.88 132.42 51.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.514 HG12 HD13 ' A' ' 69' ' ' LEU . 38.7 t -106.98 144.89 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -144.16 131.0 20.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 27.5 t-105 -83.82 108.97 17.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.438 ' SG ' HG21 ' A' ' 168' ' ' VAL . 96.1 m -91.85 149.37 21.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.548 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 9.2 mm-40 -145.28 148.34 37.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.82 -0.49 6.26 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.313 0.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.448 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 31.2 p-10 -169.93 169.49 8.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -74.28 -29.85 61.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 170' ' ' GLU . . . -41.36 -37.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -69.35 -57.53 5.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.438 HG21 ' SG ' ' A' ' 161' ' ' CYS . 72.9 t -69.34 -62.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.5 p -41.7 -44.3 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 166' ' ' ALA . 7.8 tt0 -59.93 -58.92 6.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.435 ' HB1' HG11 ' A' ' 106' ' ' VAL . . . -49.08 -40.4 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.34 -64.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' GLN . . . . . 0.464 ' NE2' ' CD1' ' A' ' 26' ' ' TYR . 39.6 tt0 -45.79 -48.76 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -55.28 -45.07 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.694 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -48.25 -44.19 33.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 72.2 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.882 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.427 HD13 ' CG1' ' A' ' 140' ' ' VAL . 60.6 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.4 p -51.24 -61.62 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -53.92 -28.12 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.1 mtp -76.71 -36.5 57.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -78.74 -32.05 46.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -78.65 -60.89 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -97.5 -68.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.17 -151.03 17.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 173' ' ' GLN . 24.5 t80 -153.86 105.93 2.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.351 . . . . 0.0 110.924 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -98.33 127.37 44.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 38.6 t-20 -73.2 112.34 15.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.73 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 28' ' ' ASN . 53.9 Cg_endo -69.74 -37.55 9.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.8 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.779 0.323 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -114.81 123.3 48.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -105.62 127.02 52.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -118.05 146.44 44.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -96.24 111.97 23.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.805 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.427 ' CG1' ' SG ' ' A' ' 161' ' ' CYS . 12.3 m -142.69 178.37 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -116.68 155.96 27.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.427 ' CE2' HG11 ' A' ' 113' ' ' VAL . 0.5 OUTLIER -101.37 128.9 47.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.872 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.808 HD22 HG11 ' A' ' 158' ' ' VAL . 3.2 mp -98.86 -46.65 5.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.51 167.51 11.19 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.485 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 10.9 tmm? -88.79 140.82 29.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.756 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -134.63 126.73 18.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 110.922 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.756 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.2 Cg_endo -69.83 122.63 9.29 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.331 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.0 m -104.58 165.17 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.12 -27.85 19.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -132.09 150.07 75.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.584 0.706 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.44 ' HD3' ' CE2' ' A' ' 154' ' ' PHE . 53.8 Cg_endo -69.72 -26.96 27.24 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.748 2.299 . . . . 0.0 112.36 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.623 HG12 ' HB2' ' A' ' 133' ' ' PHE . 15.0 m -132.11 168.42 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.84 133.42 4.57 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 mmt -66.93 -59.79 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -43.87 -46.62 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -57.88 -40.02 79.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.96 -54.43 30.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -45.96 -30.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.3 t -63.54 -45.76 89.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.7 -56.86 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.112 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 32.6 mt -47.72 -56.97 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.65 -41.21 94.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -50.47 -59.57 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.467 ' CD2' HD23 ' A' ' 72' ' ' LEU . 4.4 mm? -66.87 -43.11 84.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 45.0 mtp -51.39 -26.21 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.4 p -93.96 -43.98 8.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.2 m -56.96 -50.07 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.4 m -113.44 -178.58 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.402 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 10.8 m -105.39 166.84 10.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.575 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 38.9 tttm -63.59 -39.67 94.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.15 -40.72 37.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -47.77 -32.03 5.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.575 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 15.6 m0 -59.34 115.59 12.93 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.553 0.692 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 140.12 41.74 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.318 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.9 m -69.25 141.03 54.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 27.4 m -151.32 146.51 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -96.82 122.76 40.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.447 ' SD ' HG22 ' A' ' 113' ' ' VAL . 17.1 tpp -89.2 135.61 33.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -107.53 140.23 40.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 106' ' ' VAL . 11.0 t -130.81 46.04 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.54 151.79 19.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.9 t70 42.77 48.27 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.444 ' O ' HG22 ' A' ' 128' ' ' VAL . . . 45.24 36.73 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.8 m -123.3 140.66 52.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.4 t -104.79 117.84 51.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 34.8 m -131.42 121.73 25.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.447 HG22 ' SD ' ' A' ' 104' ' ' MET . 69.6 t -84.47 98.54 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.2 mm -92.2 146.61 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.4 t -75.11 158.65 32.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.02 -32.45 30.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -63.17 -49.33 74.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -123.04 173.14 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -110.63 -19.0 13.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -100.11 29.45 4.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -110.96 78.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 122' ' ' VAL . 0.8 OUTLIER -73.62 85.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.91 -50.87 69.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.403 HG21 ' OH ' ' A' ' 68' ' ' TYR . 96.4 t -133.25 134.53 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -128.11 100.87 6.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.528 ' HG ' ' CB ' ' A' ' 147' ' ' MET . 2.4 t -121.58 144.95 48.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -110.36 139.78 45.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.485 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.7 m -46.5 -26.95 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -62.52 -45.77 91.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -75.53 -27.98 58.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.604 HD21 ' HB3' ' A' ' 134' ' ' MET . 2.2 tt -48.33 124.97 8.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.0 m -94.92 -64.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.623 ' HB2' HG12 ' A' ' 78' ' ' VAL . 25.6 t80 -132.29 148.45 52.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.604 ' HB3' HD21 ' A' ' 131' ' ' LEU . 6.5 ptp -148.66 123.34 9.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -157.63 174.97 35.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.7 t -107.22 144.64 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 111.19 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.18 -160.84 22.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -54.61 -43.67 72.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.331 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -90.59 166.08 13.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.427 ' CG1' HD13 ' A' ' 18' ' ' LEU . 33.0 m -91.05 -12.62 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.165 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.54 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 2.5 m80 -96.09 19.16 12.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 13.7 p -125.09 105.19 8.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -123.77 128.29 49.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -139.05 152.72 47.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 23.4 p90 -144.35 134.53 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 66.8 mt -95.33 128.66 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.528 ' CB ' ' HG ' ' A' ' 126' ' ' CYS . 9.3 ptm -113.81 165.75 12.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.46 122.29 45.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 75.4 p -100.68 -42.24 6.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.48 -129.65 3.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -89.63 -66.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.311 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -109.66 24.89 12.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -103.33 131.95 49.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.44 ' CE2' ' HD3' ' A' ' 77' ' ' PRO . 3.1 m-85 -133.12 122.49 24.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -107.5 122.73 47.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.7 t -105.98 112.85 26.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' HIS . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 159' ' ' PHE . 95.4 m-70 -102.78 123.35 46.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.808 HG11 HD22 ' A' ' 69' ' ' LEU . 96.8 t -96.21 144.17 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 157' ' ' HIS . 54.7 m-85 -144.47 139.06 28.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.54 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 20.2 t-105 -99.17 127.68 45.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.591 ' SG ' HG21 ' A' ' 168' ' ' VAL . 71.0 m -115.92 151.87 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.558 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 52.3 mt-10 -139.82 148.01 53.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.888 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.7 Cg_endo -69.82 0.6 5.77 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.316 0.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.456 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 1.1 p-10 -175.08 178.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -100.8 40.45 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.419 ' CB ' HD22 ' A' ' 164' ' ' ASN . . . -83.71 -39.32 20.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -79.91 -42.0 25.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.591 HG21 ' SG ' ' A' ' 161' ' ' CYS . 72.3 t -63.61 -67.58 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 33.0 p -45.01 -38.96 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -68.92 -47.91 64.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -54.89 -41.29 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 172' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 175' ' ' ALA . 57.6 t -68.25 -49.27 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 173' ' ' GLN . . . . . 0.575 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 25.8 tt0 -46.81 -49.52 19.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.02 76.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 172' ' ' VAL . . . -52.37 -47.87 65.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 176' ' ' CYS . . . . . 0.434 ' SG ' ' CE1' ' A' ' 26' ' ' TYR . 13.8 p . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 166' ' ' ALA . 17.6 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.861 0.362 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 18' ' ' LEU . 2.3 p -34.12 -48.23 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.839 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -55.03 -54.77 38.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 47.8 mmm -52.73 -38.23 60.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -73.42 -20.88 60.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -84.38 -59.12 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -114.84 -55.13 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.54 -140.23 14.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -158.53 119.96 3.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.878 0.37 . . . . 0.0 110.904 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -100.68 109.82 21.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -58.45 120.68 46.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.669 0.747 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -23.68 30.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.781 HG23 ' HB2' ' A' ' 107' ' ' ALA . 3.4 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.783 0.325 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -102.8 138.18 40.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -127.01 113.32 16.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -108.58 135.88 49.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -86.86 107.91 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.2 m -131.58 163.49 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -103.61 147.92 26.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.39 129.64 39.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mp -100.72 -47.94 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.964 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.59 162.5 9.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.489 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 11.1 tmm? -81.21 149.3 29.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.555 HD22 ' HD2' ' A' ' 73' ' ' PRO . 0.5 OUTLIER -140.17 123.62 10.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.555 ' HD2' HD22 ' A' ' 72' ' ' LEU . 53.5 Cg_endo -69.82 119.95 6.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.443 ' CG1' HG22 ' A' ' 82' ' ' THR . 2.4 m -102.78 -180.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -103.32 -31.11 10.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -128.8 149.0 70.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.563 0.697 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.67 34.44 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.731 HG12 ' HB2' ' A' ' 133' ' ' PHE . 27.2 m -139.72 156.43 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 127.76 122.09 2.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.6 mmt -57.45 -60.51 3.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -38.76 -37.18 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.443 HG22 ' CG1' ' A' ' 74' ' ' VAL . 10.8 m -73.38 -45.15 56.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.33 -55.02 38.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -49.95 -26.36 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.1 t -70.16 -43.47 70.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.91 -45.35 94.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.1 mt -58.61 -53.6 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.67 -29.57 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -63.67 -51.24 66.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 90' ' ' LEU . 2.8 mm? -71.7 -46.95 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 59.6 mtp -43.61 -50.02 7.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 t -77.11 -19.6 56.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t -71.5 -50.32 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.3 m -123.09 -179.49 4.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.1 m -96.41 158.27 15.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -60.34 -23.37 64.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.4 pt-20 -86.64 -41.45 14.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 19.6 m-20 -47.28 -38.23 12.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.408 ' HA ' ' HD2' ' A' ' 100' ' ' PRO . 9.5 m0 -55.02 110.32 2.12 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.572 0.701 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 99' ' ' TRP . 53.4 Cg_endo -69.77 138.23 37.32 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.677 2.252 . . . . 0.0 112.346 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.417 ' HB3' ' CD ' ' A' ' 116' ' ' GLU . 42.3 m -67.87 135.36 52.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.5 m -144.02 148.71 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -96.74 120.88 37.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 46.3 ttm -90.39 131.31 36.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -103.64 136.82 42.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' ' 106' ' ' VAL . 15.2 t -131.45 51.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.781 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -104.35 151.53 23.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 t70 49.28 35.82 8.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.553 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 56.09 29.89 15.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.6 m -117.7 133.77 55.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.185 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.0 t -102.09 112.64 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.833 ' CG2' HG23 ' A' ' 122' ' ' VAL . 17.6 m -129.28 114.11 15.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.5 t -78.02 95.27 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 9.9 mm -84.16 147.91 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -79.88 159.86 26.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.417 ' CD ' ' HB3' ' A' ' 101' ' ' SER . 7.8 mt-10 -78.5 -51.88 9.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -65.7 -34.17 77.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -124.27 136.44 54.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -93.61 -34.13 13.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -93.49 32.59 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 122' ' ' VAL . 19.7 tp10 -93.78 -27.3 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.833 HG23 ' CG2' ' A' ' 112' ' ' THR . 7.6 p 33.95 51.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 122' ' ' VAL . 7.8 mt -35.05 -55.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 84.1 t -130.44 132.88 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -123.04 108.97 13.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.3 t -128.63 155.53 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -119.84 162.28 19.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 109' ' ' ALA . 14.0 m -66.04 -20.63 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.12 -29.11 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -86.29 -27.02 24.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.617 HD13 ' HE1' ' A' ' 134' ' ' MET . 2.4 tt -57.19 139.65 52.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.57 ' N ' HD23 ' A' ' 131' ' ' LEU . 4.0 t -109.74 -56.82 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.731 ' HB2' HG12 ' A' ' 78' ' ' VAL . 43.9 t80 -136.85 158.74 43.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.617 ' HE1' HD13 ' A' ' 131' ' ' LEU . 8.3 ptp -159.0 129.37 5.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -162.54 179.95 37.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 76.3 t -114.92 145.07 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.81 -160.94 24.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -55.67 -38.77 70.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.791 0.329 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -92.81 151.78 19.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 30.4 m -84.73 6.34 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 17.2 m-70 -113.7 15.5 18.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.503 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 1.3 p -125.59 108.58 11.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -125.22 129.62 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -134.73 155.28 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 8.8 p90 -140.96 134.07 29.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 22.1 mt -99.97 120.91 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.8 ptm -106.03 168.9 8.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.0 108.12 18.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 44.4 p -86.29 -37.25 18.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.96 171.73 12.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 22.5 t30 53.22 35.92 21.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 59.89 33.46 21.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 22.3 mmt-85 -98.59 143.97 28.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -132.23 119.58 21.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -106.59 115.74 30.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 8.4 t -96.48 108.38 20.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -103.21 132.49 49.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 18.5 t -107.69 144.44 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -144.3 124.78 13.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.561 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 15.9 t-105 -77.73 123.65 26.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 30.0 m -115.09 144.36 43.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 31.7 mm-40 -140.5 154.01 68.94 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.626 0.727 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.5 Cg_endo -69.7 -2.23 6.96 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.332 -0.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.459 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 22.8 p-10 -170.39 161.19 7.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -85.75 25.19 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.482 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -75.43 -44.26 45.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -70.46 -50.15 41.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 78.3 t -55.54 -63.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.2 m -44.87 -49.81 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -55.48 -59.26 5.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -47.07 -41.25 16.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.67 -51.64 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -46.27 -43.51 15.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.67 76.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -48.93 -51.35 30.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 31.0 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.925 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.845 0.355 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 m -53.81 -57.66 10.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 21' ' ' MET . 3.1 ptmm? -54.46 -39.88 67.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.468 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 69.5 mmm -68.39 -27.38 66.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -87.78 -20.3 26.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -92.11 -61.4 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -95.79 -68.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.65 -157.47 18.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -146.07 111.49 5.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -99.39 114.65 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 59.0 t-20 -60.75 123.99 77.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -45.61 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.371 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.754 HG23 ' HB2' ' A' ' 107' ' ' ALA . 7.1 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.775 0.321 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -101.72 136.86 40.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -119.66 113.81 21.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -108.34 129.12 55.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -80.81 103.52 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.0 m -130.89 165.37 31.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -101.89 163.73 12.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -110.59 129.85 55.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.493 HD23 ' HB3' ' A' ' 90' ' ' LEU . 3.7 mp -99.1 -44.52 6.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 135.0 168.19 11.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.503 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 13.3 tmm? -87.72 139.02 30.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.625 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -129.18 125.65 22.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.713 . . . . 0.0 110.923 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.625 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.8 123.6 10.24 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.729 2.286 . . . . 0.0 112.326 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.463 ' CG1' HG22 ' A' ' 82' ' ' THR . 2.3 m -106.92 161.56 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -93.51 -26.77 17.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -125.65 144.1 47.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -24.54 29.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.469 HG12 ' HB2' ' A' ' 133' ' ' PHE . 25.4 m -137.63 164.06 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 120.63 118.1 2.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.0 mmt -50.48 -57.67 7.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -40.61 -43.73 1.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.463 HG22 ' CG1' ' A' ' 74' ' ' VAL . 7.0 m -63.4 -47.87 80.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.59 -53.05 62.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -57.72 -25.48 60.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.6 t -66.5 -37.51 85.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.34 -50.91 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 58.7 mt -46.33 -58.17 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.24 -39.6 79.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -56.51 -52.32 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.493 ' HB3' HD23 ' A' ' 69' ' ' LEU . 1.8 mm? -67.96 -44.32 77.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 85.3 mtp -52.08 -33.81 41.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.8 p -81.97 -39.38 23.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.6 t -62.68 -51.28 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -119.49 156.98 29.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -90.35 159.66 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.558 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 31.0 tttt -48.27 -32.08 6.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -82.7 -42.56 17.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -48.3 -31.4 5.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.558 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 3.2 m0 -69.6 118.73 65.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 110.937 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 163.81 36.89 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -91.16 137.42 32.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.8 m -144.8 158.53 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -106.27 120.53 42.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 48.1 ttm -90.72 128.45 36.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -106.43 137.33 44.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 t -127.75 52.97 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.754 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -99.8 148.52 24.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.073 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.3 t0 45.25 47.46 10.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 45.17 36.1 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.712 HG23 ' HD2' ' A' ' 127' ' ' ARG . 76.6 m -122.79 143.43 49.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.9 t -106.52 116.69 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.702 ' CG2' HG13 ' A' ' 122' ' ' VAL . 3.8 m -129.75 98.93 4.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.831 HG12 HD12 ' A' ' 123' ' ' LEU . 76.0 t -68.87 90.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 115' ' ' SER . 20.8 mm -77.51 153.3 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.409 ' N ' HG22 ' A' ' 114' ' ' ILE . 1.5 t -89.45 124.46 34.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.53 -43.41 62.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -53.38 -46.29 69.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -133.31 122.16 23.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.66 -31.35 72.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -89.76 37.55 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -129.24 98.96 5.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.702 HG13 ' CG2' ' A' ' 112' ' ' THR . 97.4 t -85.24 102.76 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.831 HD12 HG12 ' A' ' 113' ' ' VAL . 8.4 mt -70.86 -48.28 54.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 69.1 t -136.89 131.49 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -116.93 99.16 6.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.6 t -122.65 151.94 41.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.712 ' HD2' HG23 ' A' ' 110' ' ' THR . 10.4 mmm-85 -122.04 135.78 54.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.487 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 15.8 m -40.16 -25.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 127' ' ' ARG . 36.9 mmt180 -62.15 -48.23 81.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -73.32 -36.57 66.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.573 HD21 ' HB3' ' A' ' 134' ' ' MET . 1.7 tt -44.69 118.57 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.5 t -91.49 -65.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.469 ' HB2' HG12 ' A' ' 78' ' ' VAL . 26.3 t80 -126.68 153.07 45.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.573 ' HB3' HD21 ' A' ' 131' ' ' LEU . 4.2 ptp -158.15 129.18 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -160.28 -170.68 25.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.53 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.4 t -118.17 140.17 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -77.25 -161.91 15.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -56.05 -39.73 72.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.94 152.21 20.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 35.4 m -82.95 -3.2 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.53 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 12.2 m80 -106.77 14.47 26.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 21.6 p -121.77 107.61 12.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -124.5 128.75 49.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.432 ' HB2' HG22 ' A' ' 158' ' ' VAL . . . -133.04 151.23 52.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 9.4 p90 -138.26 134.87 34.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 21.4 mt -99.82 127.63 52.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 6.8 ptm -118.3 165.75 13.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -101.56 120.62 40.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 67.4 p -98.97 -39.81 8.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.61 -138.13 3.88 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -73.24 -67.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -117.64 20.86 13.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -89.33 123.65 33.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -122.84 125.89 46.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -115.46 118.47 33.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.9 t -98.46 113.06 24.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' HIS . . . . . 0.487 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 89.0 m-70 -102.43 128.92 48.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.432 HG22 ' HB2' ' A' ' 144' ' ' ALA . 22.1 t -106.23 140.49 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 0.487 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 17.0 m-85 -140.54 138.38 34.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.53 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 21.8 t-105 -91.23 123.82 34.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 7.9 m -113.94 155.16 26.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.539 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 60.5 mt-10 -148.65 152.34 37.64 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.692 0.758 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.75 0.04 5.93 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.35 -0.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.487 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 42.7 p30 -169.89 173.23 6.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -96.51 27.05 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -78.08 -41.34 35.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -74.25 -44.98 50.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.82 -72.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.3 t -41.6 -41.61 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -64.28 -47.71 78.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.04 94.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.86 -44.02 92.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -61.9 -58.32 8.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -51.89 -34.44 41.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.24 75.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 82.3 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.946 HD11 ' HB2' ' A' ' 166' ' ' ALA . 18.5 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.87 0.367 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.8 m -64.07 -61.17 2.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 21' ' ' MET . 34.0 pttt -55.04 -29.46 57.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.422 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 96.2 mmm -72.96 -39.46 66.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -72.97 -27.9 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -79.55 -57.8 3.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -106.63 -60.14 1.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.13 -138.05 14.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -149.36 114.01 5.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.819 0.343 . . . . 0.0 110.951 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -101.97 110.58 22.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 47.9 t-20 -62.26 123.72 79.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.645 0.736 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.5 2.05 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.9 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.848 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.8 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.797 0.332 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -105.87 119.43 39.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.45 151.5 49.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -142.93 150.97 40.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -87.49 121.44 29.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 161' ' ' CYS . 35.0 m -141.44 163.55 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -101.13 151.08 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -97.51 131.47 44.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.494 HD13 HG12 ' A' ' 158' ' ' VAL . 3.5 mp -100.94 -40.7 7.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.22 162.63 10.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.601 ' CG ' ' CE1' ' A' ' 157' ' ' HIS . 7.2 tmm? -81.46 150.44 28.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.663 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -141.72 126.58 10.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.572 0.701 . . . . 0.0 110.903 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.663 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.5 Cg_endo -69.78 134.99 29.27 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.9 m -122.07 178.36 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -110.83 -25.88 9.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -129.68 145.55 57.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 -28.16 25.63 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.323 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.65 HG12 ' HB2' ' A' ' 133' ' ' PHE . 11.6 m -128.41 175.64 9.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.22 107.84 3.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 mmt -45.4 -46.88 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -50.08 -49.7 50.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.7 m -56.99 -36.79 70.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 tp -67.49 -58.3 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -49.7 -27.48 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.8 t -66.39 -45.78 78.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.59 -55.55 22.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.435 ' CG2' HG21 ' A' ' 142' ' ' THR . 42.9 mt -46.86 -53.49 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -63.08 -35.57 80.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -60.23 -53.51 56.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 93' ' ' SER . 3.4 mm? -66.57 -54.65 21.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 89.5 mtp -41.83 -38.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.9 p -78.76 -27.99 44.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 90' ' ' LEU . 6.9 t -73.97 -49.18 25.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.3 m -121.83 156.24 33.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.8 m -87.2 172.58 9.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.513 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 57.6 tttt -59.37 -34.74 72.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.85 -40.43 28.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -49.94 -33.27 17.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.513 ' CE3' ' HA ' ' A' ' 96' ' ' LYS . 5.5 m0 -67.97 113.93 17.64 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 164.06 35.93 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.704 2.269 . . . . 0.0 112.37 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.2 m -91.68 139.13 30.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.3 m -146.01 155.19 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -101.26 128.81 47.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 58.7 ttm -100.38 140.44 34.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -115.57 132.79 56.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 106' ' ' VAL . 36.2 t -122.3 42.52 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.848 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -91.91 151.91 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.084 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.8 t70 46.27 38.31 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.492 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 51.17 34.71 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.42 HG23 ' HG3' ' A' ' 127' ' ' ARG . 87.5 m -123.57 141.39 52.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.9 t -101.54 113.78 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.442 ' CG2' HG13 ' A' ' 122' ' ' VAL . 6.6 m -125.17 101.82 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.573 HG12 HD12 ' A' ' 123' ' ' LEU . 93.2 t -70.01 94.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 115' ' ' SER . 8.6 mm -84.53 157.37 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.441 ' N ' HG22 ' A' ' 114' ' ' ILE . 4.9 t -90.48 155.36 18.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -79.69 -44.44 20.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -35.66 75.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -138.55 128.88 25.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.408 ' O ' ' CG2' ' A' ' 114' ' ' ILE . 35.4 tt0 -72.13 -40.5 68.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.413 ' H ' ' CD ' ' A' ' 120' ' ' GLU . 0.9 OUTLIER -82.33 39.93 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -127.53 85.52 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.442 HG13 ' CG2' ' A' ' 112' ' ' THR . 77.2 t -75.26 94.07 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.573 HD12 HG12 ' A' ' 113' ' ' VAL . 7.4 mt -61.36 -44.49 97.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 77.1 t -142.24 122.43 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -104.16 106.03 16.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.454 ' HG ' ' CB ' ' A' ' 147' ' ' MET . 3.6 t -134.59 158.03 45.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.549 ' NH1' ' CE1' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -128.88 -179.12 4.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.832 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 16.4 m -82.15 -21.67 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -49.66 47.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.549 ' CE1' ' NH1' ' A' ' 127' ' ' ARG . 23.7 m-85 -72.0 -26.02 62.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 132' ' ' SER . 2.4 tt -56.26 132.54 50.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.469 ' N ' HD23 ' A' ' 131' ' ' LEU . 88.9 p -97.77 -65.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.65 ' HB2' HG12 ' A' ' 78' ' ' VAL . 47.8 t80 -130.49 151.47 50.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 3.9 ptp -153.51 111.31 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -143.08 -177.75 18.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.9 t -110.19 146.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -85.95 -161.64 35.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -53.3 -35.3 59.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.331 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.05 161.36 13.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.1 m -92.92 -3.36 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.463 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 13.2 m80 -102.84 7.34 39.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.435 HG21 ' CG2' ' A' ' 87' ' ' ILE . 1.2 p -117.95 107.07 13.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -121.12 129.21 53.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -134.69 156.99 47.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 11.5 p90 -147.09 136.63 22.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' A' ' 154' ' ' PHE . 3.6 mp -95.72 117.69 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.454 ' CB ' ' HG ' ' A' ' 126' ' ' CYS . 6.3 ptm -110.65 155.57 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -97.59 112.85 24.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 40.9 p -95.03 -37.09 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -122.22 -140.72 5.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.469 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -71.82 -69.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' GLN . . . . . 0.526 ' O ' ' CE1' ' A' ' 154' ' ' PHE . 10.1 mm100 -119.21 11.9 12.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.55 131.09 38.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.526 ' CE1' ' O ' ' A' ' 152' ' ' GLN . 1.6 m-85 -123.62 118.81 28.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.464 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 3.1 mp0 -105.47 119.43 39.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.3 112.67 24.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' HIS . . . . . 0.601 ' CE1' ' CG ' ' A' ' 71' ' ' MET . 85.2 m-70 -108.6 131.27 55.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.494 HG12 HD13 ' A' ' 69' ' ' LEU . 47.5 t -105.72 140.77 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 22.2 m-85 -140.07 128.41 22.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.463 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 22.1 t-105 -82.01 122.84 28.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.449 ' HA ' HG12 ' A' ' 66' ' ' VAL . 71.5 m -110.81 148.39 32.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.538 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 5.1 mm-40 -142.54 151.78 58.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.8 Cg_endo -69.72 0.23 5.81 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.34 -0.055 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.488 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 29.1 p30 -173.25 169.01 4.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -88.93 8.95 26.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.946 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -61.07 -43.45 98.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -72.99 -64.21 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 169' ' ' SER . 81.0 t -44.67 -60.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 168' ' ' VAL . 96.3 p -37.94 -49.27 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -66.81 -45.18 79.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.26 -31.69 33.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 24.5 t -83.15 -45.13 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -56.3 -62.88 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.17 -47.38 35.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.492 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -44.31 -37.5 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 60.1 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.845 0.355 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.9 m -45.04 -59.1 2.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -41.1 68.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 54.0 mmm -60.57 -40.43 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -78.53 -21.81 48.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -81.73 -68.54 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.85 -65.99 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.37 -166.66 16.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.547 ' CD2' ' HB2' ' A' ' 173' ' ' GLN . 4.0 t80 -132.45 112.31 12.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.881 0.372 . . . . 0.0 110.913 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -96.27 121.1 37.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 50.4 t-20 -60.6 122.28 66.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.71 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -50.93 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.631 2.221 . . . . 0.0 112.368 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.418 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.4 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.756 0.312 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -117.7 135.78 53.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -114.43 126.03 54.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -117.88 129.84 55.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -83.83 106.4 15.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.824 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.7 m -133.95 172.73 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -111.68 154.22 25.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -100.27 132.32 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mp -102.89 -44.91 5.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.16 173.29 12.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.485 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.476 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 9.4 tmm? -95.95 143.15 27.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.761 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -131.22 129.87 22.51 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.654 0.74 . . . . 0.0 110.918 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.761 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.75 133.1 24.77 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.326 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.7 m -124.35 157.72 31.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -91.2 -28.44 17.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 mmm-85 -124.97 143.19 43.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -27.17 27.08 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.712 2.275 . . . . 0.0 112.359 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.912 HG12 ' HB2' ' A' ' 133' ' ' PHE . 16.2 m -130.36 170.49 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.17 119.0 2.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.0 mmt -52.22 -63.31 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -41.99 -43.0 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.2 m -60.47 -46.85 88.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.45 -58.11 9.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -46.97 -23.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.9 t -69.26 -40.45 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.26 -54.67 18.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.1 mt -47.26 -58.18 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -58.49 -42.83 88.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -50.31 -61.31 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 93' ' ' SER . 4.3 mm? -62.08 -52.8 62.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 48.8 mtp -40.13 -39.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 35.8 p -82.09 -31.23 30.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 90' ' ' LEU . 28.2 t -63.51 -53.87 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.3 m -122.22 164.26 18.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.492 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 1.1 t -81.66 175.29 10.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.479 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 53.5 tttm -69.52 -30.8 68.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -81.21 -42.26 21.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.22 -36.23 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.492 ' NE1' ' O ' ' A' ' 95' ' ' SER . 7.1 m0 -60.5 114.64 10.66 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.595 0.712 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 155.58 65.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.724 2.283 . . . . 0.0 112.369 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -82.99 142.17 31.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 35.9 m -151.54 145.63 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -94.12 123.62 37.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.449 ' SD ' HG22 ' A' ' 113' ' ' VAL . 18.7 tpp -94.88 133.15 38.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -108.79 137.99 45.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.737 HG12 ' O ' ' A' ' 106' ' ' VAL . 63.7 t -126.8 47.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.418 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -92.74 150.91 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t0 44.68 45.21 7.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 46.8 35.56 3.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.594 HG23 ' HD2' ' A' ' 127' ' ' ARG . 97.6 m -122.0 140.76 52.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.4 t -101.85 117.0 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.722 ' CG2' HG13 ' A' ' 122' ' ' VAL . 6.9 m -130.24 110.21 11.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.611 HG12 HD12 ' A' ' 123' ' ' LEU . 97.4 t -74.55 90.37 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 115' ' ' SER . 31.2 mm -78.84 155.69 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.448 ' N ' HG22 ' A' ' 114' ' ' ILE . 75.6 p -78.39 168.84 19.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -87.47 -63.27 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -53.49 -43.62 68.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -110.12 164.68 12.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -110.51 -40.94 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -83.17 38.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -120.98 87.72 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.722 HG13 ' CG2' ' A' ' 112' ' ' THR . 94.2 t -76.99 91.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.611 HD12 HG12 ' A' ' 113' ' ' VAL . 8.3 mt -62.69 -49.28 75.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 69.8 t -136.69 119.82 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -106.93 111.98 24.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.4 t -139.45 146.93 40.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.594 ' HD2' HG23 ' A' ' 110' ' ' THR . 8.4 mpt_? -114.78 149.15 37.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.436 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.8 m -48.79 -25.65 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -64.89 -46.62 80.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -67.18 -40.01 86.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.616 HD23 ' N ' ' A' ' 132' ' ' SER . 2.2 tt -39.85 136.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.616 ' N ' HD23 ' A' ' 131' ' ' LEU . 77.9 p -109.61 -52.66 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.912 ' HB2' HG12 ' A' ' 78' ' ' VAL . 28.1 t80 -147.63 145.96 29.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 134' ' ' MET . 0.0 OUTLIER -135.35 138.92 43.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -160.34 170.94 36.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 142' ' ' THR . 99.3 t -120.82 143.65 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 111.129 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -82.15 -176.64 51.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -48.2 -40.54 24.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -92.17 128.2 37.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 165' ' ' ALA . 35.1 m -62.25 -12.65 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 8.7 m80 -89.66 15.89 8.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.47 ' O ' HG13 ' A' ' 136' ' ' VAL . 80.6 p -125.5 121.35 33.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.501 ' CZ ' HG21 ' A' ' 172' ' ' VAL . 54.8 t80 -134.01 128.26 33.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -134.66 148.94 50.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 6.3 p90 -146.02 133.4 20.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 56.0 mt -95.49 135.84 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 5.8 ptm -124.46 159.87 29.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.5 114.58 26.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 63.5 p -93.41 -42.89 9.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.2 -127.66 2.93 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -91.72 -63.76 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.757 0.313 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -114.88 20.99 14.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -99.71 126.73 45.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -125.34 125.06 42.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -112.53 118.72 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.8 t -101.69 112.8 25.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -102.77 131.43 49.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.92 148.57 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -146.11 139.43 25.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.578 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 50.1 t-105 -93.85 121.93 35.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 3.3 m -108.94 161.51 15.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.547 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 26.9 mt-10 -160.99 152.22 15.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.3 Cg_endo -69.79 -0.31 6.15 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.355 0.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.475 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 53.1 p-10 -166.1 162.28 17.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 140' ' ' VAL . . . -92.35 30.34 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -79.15 -47.41 16.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -66.77 -44.78 80.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 170' ' ' GLU . 96.9 t -67.4 -73.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 168' ' ' VAL . 17.8 p -34.63 -34.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 168' ' ' VAL . 5.9 tp10 -78.33 -52.65 8.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -55.69 -13.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 172' ' ' VAL . . . . . 0.501 HG21 ' CZ ' ' A' ' 143' ' ' PHE . 57.7 t -87.76 -66.15 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 173' ' ' GLN . . . . . 0.547 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . 7.3 pt20 -54.1 -50.22 67.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' A' ' 173' ' ' GLN . . . -48.67 -40.93 29.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.91 86.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 74.8 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.408 HD11 HD21 ' A' ' 164' ' ' ASN . 87.4 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.843 0.354 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 m -41.71 -66.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -41.13 -38.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.2 mtp -71.14 -45.12 64.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -63.12 -32.47 73.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -84.03 -60.79 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -94.52 -58.63 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.21 -144.09 15.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 173' ' ' GLN . 3.5 t80 -153.55 107.8 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.35 . . . . 0.0 110.927 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.561 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 9.4 mp0 -102.85 136.08 43.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -91.16 107.56 22.13 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -30.68 21.94 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.274 . . . . 0.0 112.332 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.6 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.95 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.7 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.82 0.343 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -103.15 120.0 39.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 145.29 51.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 6.4 m-85 -126.49 -179.09 4.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.7 ttp85 -118.86 104.98 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.3 m -129.43 177.2 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -114.77 153.64 29.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -97.38 133.09 42.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.563 HD13 HG12 ' A' ' 158' ' ' VAL . 2.5 mp -102.24 -41.62 6.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.88 173.71 13.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.459 ' HG2' ' N ' ' A' ' 72' ' ' LEU . 17.8 ttp -93.94 147.15 23.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.697 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -138.97 128.46 14.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.663 0.744 . . . . 0.0 110.905 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.697 ' HD2' HD13 ' A' ' 72' ' ' LEU . 54.2 Cg_endo -69.75 130.48 19.42 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.34 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.9 m -117.69 159.71 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.32 -30.14 18.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -130.87 145.11 56.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.447 ' HD3' ' CE2' ' A' ' 154' ' ' PHE . 53.2 Cg_endo -69.8 -17.74 37.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.826 HG12 ' HB2' ' A' ' 133' ' ' PHE . 15.7 m -136.21 166.3 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.98 113.92 2.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.4 mmt -47.08 -55.32 8.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.766 0.317 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -47.78 -43.6 27.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.5 m -58.24 -40.47 81.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tp -68.18 -61.32 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -43.48 -33.8 1.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.3 t -63.71 -44.78 92.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.31 -54.3 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 37.1 mt -49.07 -55.8 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -60.63 -37.73 82.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -56.06 -54.18 48.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.471 HD21 ' HB2' ' A' ' 72' ' ' LEU . 4.2 mm? -67.88 -53.38 27.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.473 ' SD ' ' CH2' ' A' ' 99' ' ' TRP . 76.6 mmm -42.23 -40.54 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.3 p -75.48 -30.4 59.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 90' ' ' LEU . 10.5 t -60.51 -55.09 37.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 m -125.56 -179.7 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.489 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 24.3 p -92.06 177.81 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.57 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 29.7 tttm -72.09 -27.26 62.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -87.59 -27.02 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.52 -22.43 66.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.57 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 6.9 m0 -72.12 122.21 86.74 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.572 0.701 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 154.72 67.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.8 p -83.4 128.44 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 27.5 m -140.82 153.37 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -105.51 132.58 51.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.7 ttm -103.33 128.14 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -99.54 141.4 32.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 t -131.55 48.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.95 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -96.81 153.33 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.9 t70 46.6 41.53 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 51.19 32.37 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.694 HG23 ' HD3' ' A' ' 127' ' ' ARG . 24.9 m -121.49 145.55 47.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 42.1 t -108.47 119.69 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.5 m -130.11 117.36 19.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 88.3 t -83.14 92.03 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 115' ' ' SER . 6.0 mm -84.78 160.67 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 114' ' ' ILE . 8.5 t -93.59 153.61 18.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -76.74 -24.56 52.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -69.11 -48.53 62.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -130.6 162.03 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -96.88 -18.12 19.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -101.78 31.43 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -116.26 79.94 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 122' ' ' VAL . 0.7 OUTLIER -75.83 92.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.05 -44.31 92.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.1 t -139.55 138.49 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.411 ' HG2' ' NH1' ' A' ' 127' ' ' ARG . 50.2 tt0 -126.35 102.66 7.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.501 ' HG ' ' CB ' ' A' ' 147' ' ' MET . 2.6 t -121.27 155.88 33.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.694 ' HD3' HG23 ' A' ' 110' ' ' THR . 4.0 mmt-85 -123.86 146.3 48.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.612 HG23 ' H ' ' A' ' 129' ' ' ARG . 6.9 m -50.24 -56.59 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.612 ' H ' HG23 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -46.64 -36.43 6.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.411 ' N ' ' HG2' ' A' ' 129' ' ' ARG . 12.0 m-85 -78.63 -24.88 45.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.611 HD21 ' HB3' ' A' ' 134' ' ' MET . 1.7 tt -54.54 124.51 16.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.6 p -90.32 -57.65 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.826 ' HB2' HG12 ' A' ' 78' ' ' VAL . 18.7 t80 -147.76 147.1 29.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.611 ' HB3' HD21 ' A' ' 131' ' ' LEU . 5.1 ptp -148.32 144.14 27.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -170.03 -176.57 39.76 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.524 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.1 t -116.49 139.79 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.85 -169.85 31.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -35.12 25.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -94.87 158.22 15.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.458 ' O ' ' HB3' ' A' ' 165' ' ' ALA . 32.8 m -84.87 -18.82 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 14.1 m80 -91.98 19.31 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.4 p -121.73 104.46 9.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -123.32 128.06 49.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -139.47 169.46 17.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.512 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 7.8 p90 -161.94 138.26 7.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.01 140.7 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' MET . . . . . 0.501 ' CB ' ' HG ' ' A' ' 126' ' ' CYS . 20.0 ptm -132.58 156.14 47.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -94.62 115.46 27.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 80.8 p -90.11 -44.45 9.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -117.42 -116.9 2.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -108.6 -62.94 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.938 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -110.35 15.2 22.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -103.73 133.19 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.447 ' CE2' ' HD3' ' A' ' 77' ' ' PRO . 1.5 m-85 -131.61 129.45 40.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -110.92 140.63 45.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 4.2 t -110.85 120.93 44.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -109.77 126.61 53.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.563 HG12 HD13 ' A' ' 69' ' ' LEU . 99.0 t -104.84 143.41 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -141.07 131.99 26.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.574 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 58.5 t-105 -87.98 127.5 35.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 3.4 m -115.77 155.6 27.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.548 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 47.7 mt-10 -154.23 153.08 27.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.7 Cg_endo -69.73 -3.23 7.53 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.353 -0.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.838 ' ND2' ' HB2' ' A' ' 166' ' ' ALA . 6.2 t30 -165.76 144.86 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.518 ' N ' ' OD1' ' A' ' 164' ' ' ASN . . . -79.81 42.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.838 ' HB2' ' ND2' ' A' ' 164' ' ' ASN . . . -87.07 -48.34 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -64.78 -42.82 94.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 63.4 t -63.81 -64.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 81.3 p -47.5 -30.16 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -76.58 -47.38 22.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -58.94 -40.83 85.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 172' ' ' VAL . . . . . 0.461 ' O ' ' HB3' ' A' ' 175' ' ' ALA . 73.4 t -66.24 -37.21 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 173' ' ' GLN . . . . . 0.579 ' HG2' ' CD2' ' A' ' 26' ' ' TYR . 39.1 mt-30 -55.72 -63.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -51.54 -39.02 56.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 172' ' ' VAL . . . -45.47 -48.04 13.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.082 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.93 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 166' ' ' ALA . 16.5 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.822 0.344 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -71.83 -50.71 27.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -62.83 -32.44 73.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.6 mmm -70.99 -30.86 67.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -83.01 -41.61 18.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -57.46 -62.09 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -117.5 -50.42 2.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.5 -158.59 14.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -134.99 103.24 5.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.912 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -89.5 108.74 19.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -54.11 122.36 35.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.596 0.712 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.04 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.321 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.1 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.807 0.337 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -120.7 124.36 45.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.21 115.92 30.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -107.44 132.21 53.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -82.95 95.93 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 161' ' ' CYS . 31.5 m -125.72 162.48 28.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -102.46 154.23 19.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -98.61 130.11 45.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.532 HD22 ' CG1' ' A' ' 158' ' ' VAL . 4.5 mp -98.81 -41.69 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.66 164.09 11.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.2 ttp -82.77 145.38 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.609 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -137.78 127.4 15.15 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.607 0.717 . . . . 0.0 110.919 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.609 ' HD2' HD13 ' A' ' 72' ' ' LEU . 54.1 Cg_endo -69.72 126.21 13.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 m -108.68 -179.27 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -115.75 -18.15 10.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -138.64 146.56 51.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.643 0.735 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -25.82 28.44 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.75 HG12 ' HB2' ' A' ' 133' ' ' PHE . 20.0 m -134.96 166.64 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.57 113.22 2.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 83' ' ' LEU . 2.3 mmt -47.49 -56.98 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -39.61 -41.62 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.2 m -65.79 -38.95 90.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.503 HD21 ' O ' ' A' ' 135' ' ' GLY . 1.8 tp -69.43 -54.53 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -54.1 -22.69 11.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.4 t -74.95 -44.02 50.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.68 -50.28 63.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 58.5 mt -49.54 -51.91 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -65.16 -37.63 88.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -55.2 -48.33 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.499 ' CD2' HD23 ' A' ' 72' ' ' LEU . 3.0 mm? -74.98 -46.33 36.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 67.2 mtp -51.35 -27.49 9.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.4 p -84.05 -44.12 14.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.2 p -61.36 -50.58 72.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.2 m -116.48 161.08 19.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.467 ' O ' ' CE2' ' A' ' 99' ' ' TRP . 1.1 t -91.37 -179.0 5.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.817 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.473 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 65.4 tttt -66.84 -33.03 74.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -79.68 -44.17 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -45.21 -33.96 2.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.473 ' CE3' ' HA ' ' A' ' 96' ' ' LYS . 9.8 m0 -64.42 112.4 7.65 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 138.47 37.93 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.686 2.258 . . . . 0.0 112.383 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 t -67.03 141.14 57.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 33.0 m -149.62 148.82 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -96.92 116.74 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.483 ' SD ' HG22 ' A' ' 113' ' ' VAL . 22.4 tpp -88.07 130.3 35.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -105.46 140.05 39.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 106' ' ' VAL . 38.7 t -130.54 41.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.35 149.83 23.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.7 t70 46.19 43.92 11.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 49.16 34.81 6.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.5 m -121.84 137.58 54.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 38.8 t -101.78 120.48 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.547 ' CG2' HG13 ' A' ' 122' ' ' VAL . 2.6 m -133.03 113.76 13.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.183 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.483 HG22 ' SD ' ' A' ' 104' ' ' MET . 91.3 t -79.83 85.39 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.475 ' CD1' HG22 ' A' ' 122' ' ' VAL . 10.0 mm -77.23 145.92 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -79.56 136.45 36.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.08 -34.61 78.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -69.14 -38.39 78.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -133.65 121.23 21.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -67.18 -41.42 85.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -83.84 41.05 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -133.51 88.21 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.592 HG11 ' HB2' ' A' ' 125' ' ' GLU . 54.0 t -79.12 101.02 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.438 HD12 HG12 ' A' ' 113' ' ' VAL . 19.4 mt -67.75 -43.57 79.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 47.7 t -143.74 114.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.592 ' HB2' HG11 ' A' ' 122' ' ' VAL . 35.2 tt0 -102.44 99.47 9.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.85 155.45 31.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 41.6 mtt85 -120.25 171.31 8.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 109' ' ' ALA . 19.1 m -77.18 -34.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.47 ' CD ' ' H ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -64.95 -26.48 68.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -91.26 -26.37 19.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 134' ' ' MET . 1.5 tt -58.69 136.88 57.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.3 t -103.74 -69.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.75 ' HB2' HG12 ' A' ' 78' ' ' VAL . 43.1 t80 -126.16 154.09 43.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.522 ' HB3' HD21 ' A' ' 131' ' ' LEU . 5.8 ptp -160.12 122.22 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.503 ' O ' HD21 ' A' ' 83' ' ' LEU . . . -150.66 175.32 29.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.9 t -103.4 129.01 55.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.43 -160.75 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.455 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -55.34 -45.64 76.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -89.34 164.33 14.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.1 m -93.45 11.32 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.547 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 10.4 m80 -117.58 19.1 14.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.4 p -131.22 105.28 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -116.73 129.31 56.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -137.0 155.18 50.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.526 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 5.1 p90 -148.81 140.58 23.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.7 mp -98.19 127.33 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 8.5 ptm -112.66 161.24 17.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -103.71 105.31 15.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.502 HG21 ' OE2' ' A' ' 155' ' ' GLU . 48.4 p -83.81 -44.26 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.147 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 146.64 158.05 7.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 21.5 t30 66.09 34.44 6.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 61.77 27.72 16.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -95.22 137.57 34.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -124.3 117.29 24.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.502 ' OE2' HG21 ' A' ' 149' ' ' THR . 88.9 mt-10 -105.56 118.15 35.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.1 t -96.7 115.26 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' HIS . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 159' ' ' PHE . 90.9 m-70 -106.44 126.33 52.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.532 ' CG1' HD22 ' A' ' 69' ' ' LEU . 21.6 t -103.43 138.94 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 157' ' ' HIS . 27.5 m-85 -139.6 136.84 34.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.547 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 31.7 t-105 -87.74 126.14 34.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.564 ' SG ' HG21 ' A' ' 168' ' ' VAL . 78.6 m -109.44 158.14 18.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.543 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 72.4 mt-10 -155.54 149.51 19.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.639 0.733 . . . . 0.0 110.866 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.1 Cg_endo -69.74 0.99 5.49 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.312 -0.009 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.483 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 33.4 p-10 -167.32 173.19 9.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.411 ' C ' HD21 ' A' ' 18' ' ' LEU . . . -96.83 31.45 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.558 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -86.49 -48.24 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -68.96 -47.58 65.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.564 HG21 ' SG ' ' A' ' 161' ' ' CYS . 37.5 t -57.46 -64.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.8 m -43.75 -50.16 7.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -55.66 -51.77 66.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.58 -43.32 46.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 57.1 t -72.07 -41.67 67.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -60.16 -60.9 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.38 -41.16 28.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.455 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -53.36 -43.62 67.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 86.5 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.908 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.422 HD13 ' HB ' ' A' ' 140' ' ' VAL . 39.3 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.811 0.338 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 m -57.43 -55.83 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -60.38 -36.65 78.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 44.2 mmm -64.11 -42.02 97.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -75.42 -27.5 59.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -71.47 -64.98 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.8 -51.48 2.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.08 -161.37 12.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -127.07 98.16 5.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.924 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -83.48 105.83 14.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -58.85 118.85 32.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -37.26 9.33 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.4 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.602 HG23 ' HB2' ' A' ' 107' ' ' ALA . 5.7 p . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.798 0.333 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -100.41 136.33 40.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -120.43 119.6 33.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -112.83 150.32 31.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -98.96 103.15 15.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.2 m -130.51 167.3 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -109.9 154.67 22.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.2 130.07 45.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 mp -101.43 -40.1 7.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 131.89 168.54 12.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.539 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.402 ' HB2' ' CE1' ' A' ' 157' ' ' HIS . 19.5 ttp -91.98 145.24 24.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.589 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -135.98 126.68 16.75 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.593 0.711 . . . . 0.0 110.95 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.589 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.71 130.84 20.1 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.273 . . . . 0.0 112.326 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.07 169.77 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.35 -30.26 13.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -125.55 150.63 68.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.553 0.692 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -25.57 28.24 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.652 2.234 . . . . 0.0 112.308 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.798 HG12 ' HB2' ' A' ' 133' ' ' PHE . 15.8 m -138.34 173.05 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.54 122.77 3.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 83' ' ' LEU . 4.3 mmt -54.3 -63.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.771 0.32 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -41.37 -36.06 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -72.03 -36.23 69.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 80' ' ' MET . 4.9 tp -72.35 -54.53 9.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -45.53 -28.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.8 t -65.19 -44.67 87.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.14 -57.4 11.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 45.4 mt -48.4 -54.99 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -61.65 -37.29 83.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -56.79 -58.58 7.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 72' ' ' LEU . 2.3 mm? -65.87 -43.93 86.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 32.2 mtp -48.0 -48.56 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.1 t -80.56 -21.18 41.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.7 t -66.05 -49.42 67.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.0 m -130.58 -177.24 4.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.4 m -104.64 163.63 12.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.584 ' HD2' ' CZ3' ' A' ' 99' ' ' TRP . 18.7 tptp -53.34 -44.72 68.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -62.16 -40.22 95.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -53.8 -37.25 63.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.584 ' CZ3' ' HD2' ' A' ' 96' ' ' LYS . 10.9 m0 -63.73 111.47 5.32 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.532 0.682 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 99' ' ' TRP . 54.0 Cg_endo -69.79 140.49 42.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.637 2.225 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.9 m -70.67 133.95 47.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.8 m -143.01 149.46 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 114' ' ' ILE . 36.9 m-80 -95.09 123.87 38.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 58.9 ttm -94.2 129.57 40.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -104.3 145.6 30.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.6 t -134.45 50.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.602 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -98.47 152.51 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.2 t70 47.56 40.2 11.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.707 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 51.24 31.33 6.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 48.2 m -119.48 139.99 51.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 48.1 t -104.33 111.84 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.2 m -125.53 118.56 26.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.415 HG21 ' CE2' ' A' ' 159' ' ' PHE . 87.3 t -81.67 97.74 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 103' ' ' ASN . 4.9 mm -89.43 145.99 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.3 t -79.2 156.24 28.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -78.85 -36.35 42.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -54.78 -46.07 74.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -135.41 164.68 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -97.31 -21.72 17.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -98.1 31.02 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -114.83 77.8 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 122' ' ' VAL . 0.9 OUTLIER -74.2 85.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.5 mt -59.47 -44.29 93.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 25.1 t -141.88 130.27 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -116.61 99.96 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.9 t -118.6 146.95 44.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -115.62 174.78 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 109' ' ' ALA . 23.3 m -84.97 -24.06 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -74.87 -31.64 61.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -87.01 -30.98 20.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 132' ' ' SER . 2.5 tt -48.67 139.81 9.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.451 ' N ' HD23 ' A' ' 131' ' ' LEU . 33.9 t -104.48 -62.03 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.798 ' HB2' HG12 ' A' ' 78' ' ' VAL . 74.3 t80 -136.78 152.33 50.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 4.0 ptp -155.65 123.99 5.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -150.27 -177.45 24.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.17 140.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -81.9 -170.17 44.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -43.63 -43.03 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.52 157.94 17.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.422 ' HB ' HD13 ' A' ' 18' ' ' LEU . 14.0 m -86.26 -18.43 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 163' ' ' PRO . 18.0 m80 -90.45 12.18 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 17.8 p -114.41 113.92 25.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -127.01 128.96 47.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -135.48 144.85 46.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 9.6 p90 -138.36 132.89 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 65.0 mt -96.67 133.56 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 6.7 ptm -126.85 163.76 22.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -100.03 114.29 27.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.489 HG21 ' CD ' ' A' ' 155' ' ' GLU . 29.2 p -100.74 -14.11 18.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.154 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -144.36 -151.28 5.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -67.7 -56.95 7.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.337 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' GLN . . . . . 0.461 ' O ' ' CZ ' ' A' ' 154' ' ' PHE . 14.5 mt-30 -129.28 16.54 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 -81.64 146.74 29.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.461 ' CZ ' ' O ' ' A' ' 152' ' ' GLN . 3.2 m-85 -138.62 120.55 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.489 ' CD ' HG21 ' A' ' 149' ' ' THR . 70.0 mt-10 -107.01 123.85 48.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.4 t -101.95 111.37 23.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' HIS . . . . . 0.48 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 89.1 m-70 -106.4 125.83 51.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 23.3 t -102.1 145.4 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 48.3 m-85 -145.59 131.73 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.423 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 37.9 t-105 -80.46 115.62 20.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 69.5 m -89.91 163.01 15.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.561 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 30.3 mt-10 -156.53 140.89 11.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.667 0.746 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.561 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.8 Cg_endo -69.72 -0.04 5.93 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.319 -0.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.663 HD22 ' HB3' ' A' ' 166' ' ' ALA . 0.7 OUTLIER -175.16 176.39 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.94 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 166' ' ' ALA . . . -73.16 -34.3 65.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.663 ' HB3' HD22 ' A' ' 164' ' ' ASN . . . -36.53 -41.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -69.16 -61.16 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 169' ' ' SER . 60.0 t -64.22 -64.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 168' ' ' VAL . 91.3 p -36.88 -42.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -68.92 -48.87 62.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -56.12 -40.19 73.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.04 -49.26 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -58.1 -48.21 80.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -52.84 -49.53 65.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.707 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -52.61 -46.28 66.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.898 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 166' ' ' ALA . 31.8 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.847 0.356 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.6 m -62.59 -58.25 8.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -28.89 65.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.8 mmm -71.37 -42.41 68.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -78.54 -26.48 45.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -75.34 -62.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -112.13 -51.41 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.18 -155.27 16.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.487 ' CZ ' ' HG3' ' A' ' 173' ' ' GLN . 23.4 t80 -145.78 111.63 5.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.959 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -102.42 123.27 45.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 26.9 t-20 -56.5 127.5 72.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.665 0.745 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -47.58 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.7 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.623 HG13 ' HB2' ' A' ' 107' ' ' ALA . 99.8 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.79 0.328 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -95.74 122.89 39.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -118.41 113.68 21.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -112.08 130.99 55.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -81.02 106.1 12.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.468 HG11 ' SG ' ' A' ' 161' ' ' CYS . 14.9 m -132.28 164.77 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -101.25 149.2 24.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.549 ' CD2' HG11 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -96.76 129.6 44.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mp -98.19 -44.63 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.8 167.43 11.73 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.452 ' CG ' ' NE2' ' A' ' 157' ' ' HIS . 8.1 tmm? -88.19 146.3 25.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.584 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -134.87 126.77 18.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.603 0.715 . . . . 0.0 110.927 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.584 ' HD2' HD13 ' A' ' 72' ' ' LEU . 54.0 Cg_endo -69.76 131.18 20.7 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 m -117.37 -177.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -120.09 -20.68 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.7 mtt85 -125.28 139.92 34.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.641 0.734 . . . . 0.0 110.851 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 -21.4 33.4 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.65 2.233 . . . . 0.0 112.356 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 133' ' ' PHE . 27.0 m -141.52 165.71 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.46 128.58 3.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 83' ' ' LEU . 5.6 mmt -60.57 -61.65 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.763 0.316 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 80' ' ' MET . 36.6 t0 -36.42 -36.91 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.0 m -70.86 -47.21 60.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.194 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.516 HD21 ' O ' ' A' ' 135' ' ' GLY . 3.4 tp -62.57 -56.04 21.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -47.73 -25.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.9 t -71.99 -42.89 65.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.47 -40.11 95.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.422 ' O ' ' CG ' ' A' ' 91' ' ' MET . 64.3 mt -62.33 -53.75 43.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -65.4 -32.99 74.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -56.53 -63.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.44 ' CD2' HD23 ' A' ' 72' ' ' LEU . 4.0 mm? -61.82 -33.04 73.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.422 ' CG ' ' O ' ' A' ' 87' ' ' ILE . 37.1 mmm -61.19 -28.26 69.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -90.8 -44.93 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.205 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -58.01 -48.1 81.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.0 m -115.28 179.48 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.1 p -107.84 169.49 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 38.0 tttm -61.91 -29.44 70.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -82.02 -47.64 12.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -40.41 -37.65 0.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.569 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 7.0 m0 -57.58 109.42 1.76 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.586 0.708 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 139.63 40.51 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.232 . . . . 0.0 112.333 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.425 ' HB3' ' CD ' ' A' ' 116' ' ' GLU . 57.7 m -67.35 136.27 54.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.7 m -147.76 159.68 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -107.15 128.54 54.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 19.3 tpp -95.87 131.78 41.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -106.76 129.23 54.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 106' ' ' VAL . 47.3 t -118.62 41.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.623 ' HB2' HG13 ' A' ' 61' ' ' VAL . . . -85.66 145.64 27.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.9 t70 45.11 48.8 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 45.54 35.02 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.3 m -121.5 139.48 53.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.6 t -105.14 120.27 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.831 HG23 HG13 ' A' ' 122' ' ' VAL . 22.3 m -134.93 108.39 7.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.165 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.557 HG12 HD12 ' A' ' 123' ' ' LEU . 58.5 t -71.5 96.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.1 mm -87.36 151.89 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.611 ' OG ' HD21 ' A' ' 123' ' ' LEU . 2.3 m -83.93 153.38 23.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.425 ' CD ' ' HB3' ' A' ' 101' ' ' SER . 16.0 mt-10 -80.03 -24.58 40.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -80.52 -38.41 29.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -129.56 129.72 44.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -77.72 -32.4 52.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -85.69 31.6 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -117.0 117.79 30.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.831 HG13 HG23 ' A' ' 112' ' ' THR . 55.0 t -103.02 72.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.611 HD21 ' OG ' ' A' ' 115' ' ' SER . 9.0 mt -42.95 -44.82 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.533 HG21 ' OH ' ' A' ' 68' ' ' TYR . 87.0 t -145.89 130.59 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -114.97 100.9 8.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.429 ' C ' ' HD3' ' A' ' 127' ' ' ARG . 8.0 t -118.62 143.28 46.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.464 ' NH1' ' CE1' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -119.19 142.47 47.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.831 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.455 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 16.0 m -55.47 -18.26 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -65.3 -54.13 33.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.464 ' CE1' ' NH1' ' A' ' 127' ' ' ARG . 9.1 m-85 -73.4 -30.3 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.648 HD13 ' HE1' ' A' ' 134' ' ' MET . 1.8 tt -42.78 127.65 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.52 ' N ' HD23 ' A' ' 131' ' ' LEU . 46.7 p -101.78 -57.78 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.575 ' HB2' HG12 ' A' ' 78' ' ' VAL . 11.7 t80 -130.74 156.73 44.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.648 ' HE1' HD13 ' A' ' 131' ' ' LEU . 5.6 ptp -161.88 118.61 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.516 ' O ' HD21 ' A' ' 83' ' ' LEU . . . -157.15 177.38 34.04 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.468 HG21 ' CD2' ' A' ' 18' ' ' LEU . 97.3 t -103.76 149.5 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 111.135 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -84.83 -160.55 32.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.95 -34.99 63.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -99.01 165.66 11.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 20.3 m -95.28 -2.18 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.534 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 35.0 m80 -105.08 14.79 28.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 22.7 p -125.5 106.59 9.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -118.0 128.11 54.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -136.85 150.99 48.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 14.5 p90 -141.27 138.84 33.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 63.3 mt -101.44 119.54 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 5.0 ptm -106.88 171.54 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -107.86 103.21 12.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 64.1 p -98.03 33.62 2.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 157.49 -154.1 25.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -70.56 -64.77 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -119.88 22.62 11.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -92.1 124.48 36.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -126.33 120.43 29.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -111.07 117.33 33.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.3 t -98.56 109.28 22.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' HIS . . . . . 0.452 ' NE2' ' CG ' ' A' ' 71' ' ' MET . 74.8 m80 -102.87 131.95 49.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 27.9 t -105.68 144.95 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -141.76 140.79 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.534 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 40.5 t-105 -99.41 129.07 45.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.468 ' SG ' HG11 ' A' ' 66' ' ' VAL . 72.8 m -121.93 161.75 22.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.546 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 30.0 mt-10 -150.99 152.58 31.78 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.657 0.741 . . . . 0.0 110.934 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.9 Cg_endo -69.8 0.05 5.99 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.358 0.037 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.489 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 44.4 p-10 -168.53 171.85 8.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -100.0 21.57 12.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.563 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -69.25 -43.06 74.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -69.0 -65.2 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 89.1 t -45.36 -59.19 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 86.3 p -46.04 -41.95 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -69.91 -44.33 69.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -57.47 -43.85 84.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 175' ' ' ALA . 93.9 t -70.04 -48.68 61.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 173' ' ' GLN . . . . . 0.487 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 12.1 tt0 -59.94 -61.82 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.21 -36.49 13.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 172' ' ' VAL . . . -50.43 -42.59 54.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.894 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 166' ' ' ALA . 18.5 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.861 0.362 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.8 t -55.88 -54.91 38.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -56.5 -36.45 69.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 mmt -63.41 -42.09 98.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -83.84 -0.14 49.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -91.34 -63.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -125.8 -44.56 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.2 -169.86 13.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -128.61 112.57 14.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -88.85 116.98 27.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -65.59 115.08 18.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -40.39 5.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.683 HG21 ' HD3' ' A' ' 129' ' ' ARG . 34.1 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.794 HG23 ' HB2' ' A' ' 107' ' ' ALA . 7.5 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.752 0.31 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -124.21 130.41 52.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -112.19 117.43 32.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -111.37 152.9 26.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 48.0 ttp85 -101.46 118.03 36.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.1 m -146.15 177.62 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -117.02 151.87 35.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -97.22 129.04 44.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.954 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.444 HD22 HG11 ' A' ' 158' ' ' VAL . 2.6 mp -101.25 -38.43 8.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.27 163.94 11.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.453 ' HG2' ' N ' ' A' ' 72' ' ' LEU . 10.5 ttp -84.13 145.95 28.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.577 HD23 ' CD2' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -136.94 125.2 14.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.584 0.707 . . . . 0.0 110.951 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.57 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.7 Cg_endo -69.78 137.4 35.33 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 30.5 m -124.96 165.68 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -93.14 -28.65 16.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -127.23 142.12 42.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.701 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.14 36.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.646 2.23 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.721 HG12 ' HB2' ' A' ' 133' ' ' PHE . 13.8 m -135.77 169.14 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 113.2 121.84 3.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.473 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.0 mmt -56.85 -54.76 42.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -45.51 -31.18 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.3 m -76.56 -43.88 37.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.39 -53.78 47.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -54.0 -26.14 24.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.8 t -66.98 -40.32 87.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.33 -60.89 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 34.4 mt -41.09 -48.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.1 -36.96 83.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.3 -47.42 85.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.577 ' CD2' HD23 ' A' ' 72' ' ' LEU . 2.0 mm? -76.75 -47.77 20.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.0 mtp -39.21 -48.1 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.5 t -75.78 -27.89 58.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 90' ' ' LEU . 70.1 m -63.85 -49.7 71.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.807 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 m -126.86 155.29 43.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.513 ' O ' ' CE2' ' A' ' 99' ' ' TRP . 79.4 p -82.3 -177.53 6.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.512 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 21.7 tttt -70.89 -26.36 63.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -89.82 -25.67 20.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.41 -30.51 71.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.513 ' CE2' ' O ' ' A' ' 95' ' ' SER . 4.7 m0 -70.43 113.35 17.54 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.549 0.69 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 138.48 37.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.9 p -64.59 137.15 57.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.802 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.5 m -145.72 147.6 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -97.71 121.56 39.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 52.9 ttm -88.95 133.86 34.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -110.77 142.9 42.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 106' ' ' VAL . 21.2 t -133.49 42.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.794 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -83.05 145.04 29.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 t0 43.0 53.61 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 42.63 39.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.569 HG23 ' HG2' ' A' ' 127' ' ' ARG . 20.9 m -123.55 137.12 54.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 47.3 t -103.78 113.14 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 62.2 m -128.23 110.29 12.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.8 t -75.9 99.73 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.8 mm -90.6 151.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -86.7 139.18 31.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -70.95 -24.4 62.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -26.49 61.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -159.76 114.72 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.67 -33.12 63.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 120' ' ' GLU . 17.6 mp0 -81.73 16.83 1.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -107.2 76.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.432 HG12 ' H ' ' A' ' 122' ' ' VAL . 1.8 p -74.05 96.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.2 mt -70.33 -48.25 57.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 59.4 t -135.13 134.05 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -124.03 95.67 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.96 171.57 8.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.569 ' HG2' HG23 ' A' ' 110' ' ' THR . 10.5 mtt-85 -131.4 -177.33 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.4 m -80.95 -37.75 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.683 ' HD3' HG21 ' A' ' 30' ' ' THR . 55.7 mmt-85 -62.75 -37.47 86.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -72.28 -37.81 68.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.687 HD23 ' N ' ' A' ' 132' ' ' SER . 2.2 tt -46.23 148.58 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.687 ' N ' HD23 ' A' ' 131' ' ' LEU . 96.4 p -111.79 -62.75 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.721 ' HB2' HG12 ' A' ' 78' ' ' VAL . 58.1 t80 -134.91 140.44 45.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.489 ' HE1' HD22 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -131.44 134.19 45.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -166.08 170.2 40.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.525 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 90.3 t -111.07 140.94 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.383 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -72.97 -168.2 12.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -52.65 -39.85 62.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -91.13 158.05 16.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.3 m -87.52 0.33 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 31.2 m80 -109.18 13.67 24.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 18.1 p -121.58 105.85 10.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -115.78 131.0 57.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -135.22 149.42 49.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.532 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 10.5 p90 -145.35 134.42 22.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 28.8 mt -100.37 127.61 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 11.1 ptm -116.14 157.54 24.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -99.0 104.88 16.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 51.2 p -85.65 -48.07 9.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -113.38 -141.8 8.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -79.19 -68.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.32 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -113.55 27.77 9.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -97.5 136.81 37.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -131.65 122.86 26.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -117.08 119.74 36.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.7 t -98.14 115.87 29.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' HIS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 92.0 m-70 -102.76 126.76 50.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.444 HG11 HD22 ' A' ' 69' ' ' LEU . 19.9 t -100.02 144.57 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 45.0 m-85 -148.23 129.81 14.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 31.6 t-105 -88.23 126.06 34.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.448 ' SG ' HG21 ' A' ' 168' ' ' VAL . 85.6 m -116.35 148.69 40.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.541 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 16.5 mt-10 -140.41 152.06 65.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.0 Cg_endo -69.73 0.19 5.84 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.372 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.488 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 26.6 p30 -173.22 169.8 4.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -96.59 33.06 1.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.452 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -80.6 -36.55 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -81.17 -52.58 7.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.448 HG21 ' SG ' ' A' ' 161' ' ' CYS . 53.8 t -50.97 -65.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 2.2 m -43.37 -48.11 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -57.07 -49.22 76.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -55.85 -37.9 69.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.96 -50.33 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -54.33 -63.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -45.98 -43.77 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.061 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -52.01 -39.71 59.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 79.8 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.827 0.346 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.2 p -60.82 -53.13 61.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 21' ' ' MET . 13.1 ptpt -59.61 -38.9 82.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.452 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 4.5 mtp -62.91 -44.13 96.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -70.23 -5.73 29.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -99.09 -57.24 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -107.47 -61.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.16 -150.39 17.9 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.514 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.481 ' CE2' ' HG3' ' A' ' 173' ' ' GLN . 24.3 t80 -148.49 109.8 4.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.934 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -101.79 109.83 21.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -56.51 119.21 26.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -42.76 3.11 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.301 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.7 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.025 HG23 ' HB2' ' A' ' 107' ' ' ALA . 7.2 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.785 0.326 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 106' ' ' VAL . 21.1 mt-30 -106.76 119.05 38.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.25 150.87 42.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -136.75 177.75 7.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -112.96 106.73 15.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.3 m -131.85 171.58 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -112.46 156.95 21.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.51 129.56 45.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.426 HD22 HG11 ' A' ' 158' ' ' VAL . 2.9 mp -94.47 -56.4 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 147.96 152.21 5.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.443 ' HG3' ' CE1' ' A' ' 157' ' ' HIS . 16.9 ttp -76.02 138.77 41.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.718 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -133.49 125.63 18.73 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.618 0.723 . . . . 0.0 110.917 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.718 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.77 133.12 24.77 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.375 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.3 m -119.01 173.71 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -104.43 -26.29 12.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -130.31 148.67 70.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -22.78 31.46 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.679 2.252 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.856 HG12 ' HB2' ' A' ' 133' ' ' PHE . 11.2 m -136.21 172.62 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.69 118.51 3.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.3 mmt -54.27 -51.12 65.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -50.77 -25.03 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.7 m -85.44 -44.32 12.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.75 -55.87 17.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -54.13 -28.02 37.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.96 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.2 t -64.43 -43.95 92.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.54 -47.02 71.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 65.4 mt -50.62 -54.19 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -65.79 -33.06 74.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.547 ' O ' HG22 ' A' ' 92' ' ' THR . 3.2 m120 -58.9 -51.57 69.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.55 HD22 HD23 ' A' ' 72' ' ' LEU . 1.4 mm? -73.02 -43.47 62.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 55.0 mtp -47.89 -40.46 21.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 89' ' ' ASN . 5.0 t -82.86 -22.61 34.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 28.0 t -74.04 -31.76 63.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -137.41 177.56 7.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.587 ' O ' ' CD1' ' A' ' 99' ' ' TRP . 70.6 m -102.0 166.5 10.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.825 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.54 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 55.3 tttm -67.32 -37.14 82.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -82.95 -24.97 32.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -69.48 -28.78 66.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 95' ' ' SER . 22.6 m0 -57.73 121.23 47.86 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.545 0.688 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 141.12 44.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.63 2.22 . . . . 0.0 112.378 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.7 m -75.39 140.42 42.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.6 m -150.81 144.62 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -92.76 130.02 38.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.1 tpp -96.53 146.2 25.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -117.82 133.36 56.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 106' ' ' VAL . 40.3 t -125.52 44.24 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 1.025 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -90.1 148.84 22.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.9 t70 42.31 51.34 4.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.693 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 43.75 38.94 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.7 m -123.75 136.33 54.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 63.6 t -103.82 114.27 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.631 ' CG2' HG23 ' A' ' 122' ' ' VAL . 18.4 m -129.08 118.26 22.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.3 t -81.0 96.66 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.403 HG23 ' O ' ' A' ' 119' ' ' GLU . 7.9 mm -87.29 143.34 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -78.04 160.5 28.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -81.09 -42.26 21.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -74.62 -35.54 62.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -125.75 128.47 47.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 114' ' ' ILE . 19.9 tt0 -85.17 -38.44 19.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -87.71 29.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.402 ' C ' HG12 ' A' ' 122' ' ' VAL . 6.5 tp10 -89.28 -33.53 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 122' ' ' VAL . 7.1 p 40.7 48.73 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 122' ' ' VAL . 12.7 mt -34.65 -45.19 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 98.4 t -139.91 138.55 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -128.01 98.47 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.4 t -117.59 151.5 37.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -116.99 167.51 11.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 109' ' ' ALA . 18.4 m -76.56 -35.36 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 130' ' ' PHE . 1.4 ppt_? -69.21 -7.14 33.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 129' ' ' ARG . 3.7 m-85 -110.23 -27.1 9.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 134' ' ' MET . 1.8 tt -53.89 133.95 42.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.3 m -98.67 -63.6 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.856 ' HB2' HG12 ' A' ' 78' ' ' VAL . 28.6 t80 -133.03 151.71 52.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.572 ' HB3' HD21 ' A' ' 131' ' ' LEU . 4.9 ptp -158.81 120.14 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -143.01 -161.53 8.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.5 t -123.94 140.98 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -82.49 -175.34 50.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -47.67 -34.81 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -98.31 148.39 23.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 165' ' ' ALA . 25.4 m -76.24 -7.14 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -104.36 12.97 32.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.1 p -116.41 112.63 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -124.23 132.18 53.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -137.85 142.26 40.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.069 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -138.26 141.23 39.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 20.6 mt -105.95 129.71 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.2 ptm -114.38 165.82 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -108.68 108.62 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 63.2 p -85.56 -43.52 13.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 144.77 153.96 6.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 71.53 44.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 51.57 30.01 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -101.58 135.73 42.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -129.41 124.5 34.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.416 ' CD ' ' SD ' ' A' ' 71' ' ' MET . 15.4 mm-40 -106.86 141.03 38.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.4 t -111.27 110.45 20.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' HIS . . . . . 0.443 ' CE1' ' HG3' ' A' ' 71' ' ' MET . 90.0 m-70 -105.4 126.49 52.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.426 HG11 HD22 ' A' ' 69' ' ' LEU . 14.7 t -105.96 151.09 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.154 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 158' ' ' VAL . 49.8 m-85 -149.39 140.77 23.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.527 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 46.9 t-105 -90.44 117.19 28.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.481 ' SG ' HG21 ' A' ' 168' ' ' VAL . 79.6 m -104.01 155.34 18.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.547 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 82.2 mt-10 -154.74 151.43 23.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.671 0.748 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.72 -0.69 6.23 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.328 0.006 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.471 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 50.8 p30 -167.45 173.25 8.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -86.49 -12.68 48.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -47.98 -41.8 26.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.52 -57.95 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.481 HG21 ' SG ' ' A' ' 161' ' ' CYS . 83.8 t -61.31 -68.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 168' ' ' VAL . 35.3 p -35.12 -35.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 170' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 168' ' ' VAL . 25.3 tt0 -77.28 -57.6 3.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -46.18 -38.4 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 88.1 t -71.29 -54.34 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.143 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 173' ' ' GLN . . . . . 0.481 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 3.3 tt0 -51.92 -57.32 9.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -50.43 -36.13 31.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.693 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -64.91 -41.95 95.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 94.4 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.527 ' CD2' HG21 ' A' ' 136' ' ' VAL . 17.7 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.804 0.335 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.0 m -65.57 -56.06 14.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 21' ' ' MET . 3.7 ptmm? -56.39 -34.16 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.466 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 12.0 mtp -67.17 -40.69 86.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -70.18 -35.77 74.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -62.44 -64.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -111.42 -57.24 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.03 -165.69 12.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.465 ' CD1' ' HE3' ' A' ' 134' ' ' MET . 18.9 t80 -119.16 100.45 7.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 0.0 110.882 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.512 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 30.8 mp0 -94.24 115.77 28.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 18.5 t-20 -60.74 114.18 9.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.568 0.699 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 -28.09 25.32 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.458 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.4 p . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.786 0.326 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -116.02 138.91 50.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -121.26 115.32 22.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -106.86 133.43 51.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -83.0 101.25 10.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.0 m -127.97 171.61 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -113.21 152.62 29.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -99.08 128.95 45.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.476 HD22 HG11 ' A' ' 158' ' ' VAL . 2.7 mp -99.49 -44.57 6.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 134.91 170.41 12.18 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 12.9 tmm? -92.01 141.79 28.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.593 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -133.31 127.02 19.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.907 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.593 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.9 Cg_endo -69.75 128.81 16.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.7 m -114.93 172.6 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -96.15 -28.14 14.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -135.48 149.25 68.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.631 0.729 . . . . 0.0 110.847 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -22.97 31.53 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.732 2.288 . . . . 0.0 112.345 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.597 HG12 ' HB2' ' A' ' 133' ' ' PHE . 14.5 m -130.1 170.51 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.23 102.2 2.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 83' ' ' LEU . 1.6 mmt -42.02 -61.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 80' ' ' MET . 2.9 m-20 -37.11 -42.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.6 m -66.38 -45.09 81.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 80' ' ' MET . 2.0 tp -59.25 -51.97 67.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -50.27 -32.27 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.4 t -62.71 -43.93 97.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.72 -54.49 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.062 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.435 ' CG2' HG21 ' A' ' 142' ' ' THR . 56.7 mt -46.37 -56.02 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.44 -45.34 93.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -45.82 -58.53 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 72' ' ' LEU . 4.3 mm? -66.41 -51.17 59.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 68.6 mtp -42.49 -40.19 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.2 p -77.05 -42.73 37.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.155 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -58.91 -52.5 65.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.3 m -118.31 157.17 27.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 m -86.46 162.21 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.518 ' HA ' ' CD2' ' A' ' 99' ' ' TRP . 23.4 tttm -54.26 -41.96 69.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -73.91 -33.05 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.86 -28.63 64.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.518 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 6.8 m0 -67.85 120.47 74.03 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.585 0.707 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 153.45 69.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.364 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.6 p -82.37 130.34 35.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.8 m -141.44 148.82 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -97.32 138.07 35.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 50.4 ttm -105.17 130.98 53.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.459 ' ND2' HG13 ' A' ' 114' ' ' ILE . 12.3 m-20 -104.33 135.1 46.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 t -124.61 38.19 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.458 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -85.35 151.16 24.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 t70 44.08 47.57 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.538 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 44.82 35.12 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.467 HG23 ' HD3' ' A' ' 127' ' ' ARG . 62.7 m -121.18 144.54 48.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.5 t -110.93 113.5 44.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.946 ' CG2' HG13 ' A' ' 122' ' ' VAL . 31.6 m -128.05 111.25 13.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.543 HG12 HD12 ' A' ' 123' ' ' LEU . 62.8 t -68.85 92.17 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.459 HG13 ' ND2' ' A' ' 105' ' ' ASN . 19.2 mm -82.59 139.91 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.448 ' CB ' ' HG2' ' A' ' 121' ' ' GLU . 1.2 t -78.49 147.58 33.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.417 ' CD ' ' O ' ' A' ' 116' ' ' GLU . 0.6 OUTLIER -73.05 -17.1 61.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -73.01 -25.79 61.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -164.38 149.61 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -75.5 -45.06 40.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -64.79 -15.24 61.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.448 ' HG2' ' CB ' ' A' ' 115' ' ' SER . 7.8 tp10 -70.72 104.05 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.946 HG13 ' CG2' ' A' ' 112' ' ' THR . 89.1 t -102.6 87.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.543 HD12 HG12 ' A' ' 113' ' ' VAL . 13.0 mt -58.61 -46.75 86.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 57.9 t -141.05 139.62 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -125.61 101.16 6.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.2 t -117.37 146.42 43.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.467 ' HD3' HG23 ' A' ' 110' ' ' THR . 5.6 mmt85 -117.63 144.81 44.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.462 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 8.2 m -51.73 -20.02 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 18.6 mmt-85 -74.35 -34.86 63.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -86.44 -25.63 25.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.636 HD21 ' HB3' ' A' ' 134' ' ' MET . 3.1 tt -56.79 126.81 28.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.2 p -98.38 -59.65 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.597 ' HB2' HG12 ' A' ' 78' ' ' VAL . 12.8 t80 -133.38 151.77 51.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.636 ' HB3' HD21 ' A' ' 131' ' ' LEU . 4.2 ptp -159.04 118.96 3.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -150.43 -172.99 20.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.527 HG21 ' CD2' ' A' ' 18' ' ' LEU . 67.2 t -114.64 138.62 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 111.18 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -82.0 -169.57 43.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -41.93 -53.13 3.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.75 0.31 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.46 160.55 26.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.435 ' CG1' HD13 ' A' ' 18' ' ' LEU . 31.6 m -92.07 -4.38 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.516 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 32.3 m80 -106.49 19.24 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.435 HG21 ' CG2' ' A' ' 87' ' ' ILE . 7.9 p -123.84 105.14 9.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -116.33 128.34 55.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -132.0 148.27 52.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 12.8 p90 -142.69 129.84 20.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 16.9 mt -97.71 131.88 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.9 ptm -120.79 166.27 13.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.91 115.11 29.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 30.1 p -107.19 39.18 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 69.35 158.73 1.84 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 152' ' ' GLN . 6.9 t-20 62.13 47.18 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.321 . . . . 0.0 110.89 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 151' ' ' ASN . 3.6 pt20 37.71 33.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -89.22 150.34 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -132.9 118.65 19.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -109.77 114.31 27.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.6 t -92.84 107.97 19.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' HIS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 94.2 m-70 -102.95 128.05 49.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.476 HG11 HD22 ' A' ' 69' ' ' LEU . 38.9 t -103.02 142.9 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 35.4 m-85 -144.45 133.1 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.516 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 24.1 t-105 -84.96 124.81 32.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.499 ' SG ' HG21 ' A' ' 168' ' ' VAL . 69.7 m -107.61 162.56 13.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.548 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 23.4 mt-10 -159.37 150.11 15.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.641 0.734 . . . . 0.0 110.909 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.76 1.25 5.4 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.325 0.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.582 ' ND2' ' HB3' ' A' ' 166' ' ' ALA . 36.6 p-10 -174.51 158.48 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -64.74 -30.17 71.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.582 ' HB3' ' ND2' ' A' ' 164' ' ' ASN . . . -40.56 -35.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -69.45 -65.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.499 HG21 ' SG ' ' A' ' 161' ' ' CYS . 86.3 t -57.35 -64.15 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 168' ' ' VAL . 95.1 p -36.74 -47.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -61.32 -54.72 40.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.11 -39.16 59.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.11 -54.36 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -41.58 -56.14 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -54.59 -45.76 73.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.538 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -50.78 -44.85 58.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 98.5 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.922 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.712 HD13 ' HB ' ' A' ' 140' ' ' VAL . 16.0 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.845 0.355 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.5 t -57.87 -68.48 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -46.86 -27.41 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 75.9 mmm -75.94 -40.37 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -73.57 -18.95 61.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -89.68 -48.06 7.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.85 -63.21 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.96 -144.44 18.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' A' ' 173' ' ' GLN . 19.4 t80 -157.3 111.39 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 110.939 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -98.5 105.66 17.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.416 ' HA ' ' HD2' ' A' ' 29' ' ' PRO . 42.3 t-20 -61.9 110.92 3.67 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 28' ' ' ASN . 54.4 Cg_endo -69.74 -28.75 24.99 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.628 2.219 . . . . 0.0 112.385 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.107 HG23 ' HB2' ' A' ' 107' ' ' ALA . 12.7 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.81 0.338 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -130.3 139.91 50.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.21 120.41 35.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.402 ' HE2' HG21 ' A' ' 106' ' ' VAL . 91.5 m-85 -113.02 153.05 28.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -100.28 109.59 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.6 m -137.97 167.07 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -106.65 158.29 17.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -101.36 128.97 47.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.595 HD13 HG12 ' A' ' 158' ' ' VAL . 3.1 mp -97.78 -49.46 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.06 164.32 9.84 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.44 ' HG2' ' N ' ' A' ' 72' ' ' LEU . 19.4 ttp -83.82 148.8 26.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.659 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -139.37 128.17 13.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.587 0.708 . . . . 0.0 110.967 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.659 ' HD2' HD13 ' A' ' 72' ' ' LEU . 54.2 Cg_endo -69.72 130.71 19.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.4 m -119.56 179.18 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -116.7 -22.3 8.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.3 mmt-85 -130.28 143.55 49.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.622 0.725 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -23.0 31.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.388 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.92 HG12 ' HB2' ' A' ' 133' ' ' PHE . 35.4 m -139.61 167.88 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.45 110.15 2.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.6 mmt -40.56 -57.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -38.69 -44.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.2 m -66.75 -49.97 64.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.487 HD11 ' O ' ' A' ' 144' ' ' ALA . 4.3 tp -56.82 -51.93 67.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -62.57 -23.58 67.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.3 t -71.11 -42.85 68.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.2 -49.79 58.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.5 mt -50.89 -55.97 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -60.49 -35.69 76.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.413 ' O ' HG22 ' A' ' 92' ' ' THR . 3.1 m120 -58.9 -56.34 23.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 90' ' ' LEU . 1.6 mm? -70.56 -29.04 65.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.5 mtp -64.37 -34.83 79.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 89' ' ' ASN . 4.0 t -91.69 -20.13 21.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.141 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.3 m -69.24 -52.83 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.8 m -119.0 -179.01 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.4 m -96.2 170.43 9.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.532 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 72.2 tttt -64.54 -36.82 85.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.94 -36.17 31.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -49.5 -25.06 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.532 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 7.9 m0 -73.82 115.66 44.36 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.533 0.682 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 145.5 57.24 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.6 m -71.33 142.32 50.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 30.9 m -152.29 143.54 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -93.23 126.57 38.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.549 ' SD ' HG22 ' A' ' 113' ' ' VAL . 24.0 tpp -96.1 136.71 36.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -110.57 147.85 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.604 HG12 ' O ' ' A' ' 106' ' ' VAL . 18.0 t -133.86 27.57 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 1.107 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -70.66 143.9 51.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.6 t70 46.14 48.69 12.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.521 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 44.53 36.87 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.599 HG23 ' HG2' ' A' ' 127' ' ' ARG . 98.3 m -120.93 141.47 50.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.1 t -103.47 118.84 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.9 m -133.65 103.08 5.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.549 HG22 ' SD ' ' A' ' 104' ' ' MET . 87.3 t -71.37 93.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.3 mm -83.25 154.14 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.2 t -77.55 165.58 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.42 -34.33 15.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -67.3 -33.41 75.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -140.71 162.41 35.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -101.36 -12.55 18.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -103.42 19.11 20.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -106.74 78.32 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.49 103.79 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.11 -43.88 32.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 80.4 t -137.26 126.54 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -114.32 94.22 4.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.8 t -121.44 155.17 35.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.599 ' HG2' HG23 ' A' ' 110' ' ' THR . 38.5 mtt180 -127.77 173.07 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 109' ' ' ALA . 17.7 m -73.3 -20.42 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -74.36 -21.9 59.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -103.78 -19.91 14.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.531 HD22 ' HE2' ' A' ' 134' ' ' MET . 2.4 tt -66.24 125.75 26.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.425 ' N ' HD23 ' A' ' 131' ' ' LEU . 8.0 m -97.6 -63.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.92 ' HB2' HG12 ' A' ' 78' ' ' VAL . 13.6 t80 -125.9 152.68 45.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.531 ' HE2' HD22 ' A' ' 131' ' ' LEU . 2.5 ptt? -158.82 107.89 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.412 ' O ' HD21 ' A' ' 83' ' ' LEU . . . -135.55 -174.07 13.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.468 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.3 t -121.71 134.01 66.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 111.094 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -68.53 -169.63 5.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -49.29 -44.9 44.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -87.29 153.89 21.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.847 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.712 ' HB ' HD13 ' A' ' 18' ' ' LEU . 13.1 m -85.97 8.26 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.525 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 7.4 m80 -113.05 14.07 19.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 3.5 p -122.57 109.37 14.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -121.35 129.42 53.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.487 ' O ' HD11 ' A' ' 83' ' ' LEU . . . -139.05 148.15 42.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 10.7 p90 -140.9 137.02 32.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.4 mt -101.0 123.63 54.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.6 ptm -115.48 169.05 9.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -109.74 125.12 52.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 59.8 p -104.01 -39.77 6.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -125.93 -138.27 4.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -75.96 -66.37 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -118.09 15.92 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -88.25 129.2 35.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -128.38 133.48 48.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -113.7 117.16 30.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.22 110.98 22.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -106.1 133.09 51.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.595 HG12 HD13 ' A' ' 69' ' ' LEU . 58.6 t -112.77 144.05 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -144.64 139.7 28.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.525 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 16.5 t-105 -92.66 120.17 32.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 34.5 m -105.35 157.53 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.545 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 35.3 mt-10 -151.59 150.53 26.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.89 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.4 Cg_endo -69.71 0.5 5.68 Favored 'Cis proline' 0 C--N 1.34 0.129 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.331 -0.051 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.482 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 32.4 p30 -164.69 179.04 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.522 ' C ' HD21 ' A' ' 18' ' ' LEU . . . -103.58 29.17 5.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -83.2 -60.01 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -54.23 -24.18 17.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 88.9 t -86.18 -62.86 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 79.9 p -53.37 -32.16 48.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -76.4 -50.91 12.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.26 89.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.13 -38.64 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 173' ' ' GLN . . . . . 0.436 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 29.9 tt0 -59.57 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.85 -43.2 38.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.521 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -44.36 -50.85 8.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.081 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 79.9 m . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.887 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.785 HD11 ' HB2' ' A' ' 166' ' ' ALA . 16.6 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.75 0.309 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.1 m -63.79 -39.81 95.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' CG ' ' N ' ' A' ' 21' ' ' MET . 0.1 OUTLIER -69.62 -42.03 74.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.403 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 24.0 mmm -61.32 -30.83 70.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -82.9 -27.46 30.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -75.85 -68.55 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -102.86 -64.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.63 -146.24 17.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -147.5 117.41 7.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 110.949 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -102.64 107.76 18.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -64.57 111.33 5.44 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.667 0.746 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -43.18 2.88 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.722 2.281 . . . . 0.0 112.365 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.2 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.696 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.7 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.785 0.326 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -105.06 131.93 51.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.79 123.05 42.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -115.04 153.23 31.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 65' ' ' ARG . 15.5 ttm105 -105.86 97.86 7.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 161' ' ' CYS . 27.5 m -124.17 160.93 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -99.36 154.02 18.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.48 128.78 45.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.973 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mp -93.71 -51.03 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 146.48 166.4 12.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.457 ' SD ' ' CD ' ' A' ' 155' ' ' GLU . 11.1 ttp -87.72 142.39 27.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.71 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -140.43 127.04 12.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.568 0.699 . . . . 0.0 110.944 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.71 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.4 Cg_endo -69.78 152.27 69.17 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.706 2.27 . . . . 0.0 112.334 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.467 HG13 ' HB2' ' A' ' 156' ' ' CYS . 28.8 m -136.51 174.25 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -111.39 -18.22 12.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -131.42 143.25 48.45 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 154' ' ' PHE . 53.5 Cg_endo -69.73 -23.74 30.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.622 2.215 . . . . 0.0 112.366 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.693 HG12 ' HB2' ' A' ' 133' ' ' PHE . 15.6 m -138.3 175.62 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.7 124.97 4.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.6 mmt -54.9 -62.4 1.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -42.51 -42.98 3.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.3 m -63.91 -39.46 94.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.45 -62.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -44.94 -30.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.7 t -56.74 -44.54 81.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.03 -50.43 62.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 71.6 mt -51.22 -56.6 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.53 -34.93 73.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.414 ' O ' HG22 ' A' ' 92' ' ' THR . 2.9 m120 -60.02 -59.12 5.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 72' ' ' LEU . 1.9 mm? -66.22 -38.36 87.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.6 mtp -51.7 -47.77 63.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 89' ' ' ASN . 3.8 t -80.37 -18.85 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.0 t -69.29 -54.57 13.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.0 m -119.95 -177.66 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.415 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 28.8 m -95.04 168.59 10.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.817 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.528 ' HA ' ' CH2' ' A' ' 99' ' ' TRP . 72.7 tttt -67.08 -33.43 75.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -87.07 -29.64 21.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -57.07 -23.51 47.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.535 ' CZ3' ' CE3' ' A' ' 160' ' ' TRP . 10.5 m0 -68.53 120.17 73.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.55 0.69 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 140.87 43.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.636 2.224 . . . . 0.0 112.325 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.1 m -72.49 137.93 46.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 66' ' ' VAL . 18.7 m -145.16 155.34 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -102.73 125.67 49.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 48.7 ttm -96.35 132.88 41.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -109.63 140.16 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.6 41.75 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.696 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -86.6 149.21 25.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.5 t0 47.61 42.6 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.491 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 48.59 30.26 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.6 m -118.0 144.54 45.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.8 t -101.56 129.4 52.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.531 HG23 HG13 ' A' ' 122' ' ' VAL . 9.7 m -143.94 106.63 4.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.578 HG12 HD12 ' A' ' 123' ' ' LEU . 49.0 t -76.29 93.6 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 9.2 mm -82.25 152.35 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.2 t -87.73 131.49 34.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.86 -42.45 84.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -59.59 -42.08 91.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -131.44 120.33 22.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -66.32 -33.55 75.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -87.89 37.11 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -127.09 101.87 6.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.531 HG13 HG23 ' A' ' 112' ' ' THR . 55.7 t -90.72 88.51 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.578 HD12 HG12 ' A' ' 113' ' ' VAL . 8.9 mt -56.44 -37.71 70.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 77.5 t -149.93 127.86 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.427 ' HB2' HG11 ' A' ' 122' ' ' VAL . 32.4 tt0 -113.12 103.25 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.07 149.99 48.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -113.46 176.15 5.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 109' ' ' ALA . 8.8 m -81.33 -19.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -78.38 -24.24 46.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -91.89 -24.5 19.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.675 HD22 ' HE2' ' A' ' 134' ' ' MET . 2.6 tt -58.33 126.75 28.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 78.4 p -96.81 -55.91 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.693 ' HB2' HG12 ' A' ' 78' ' ' VAL . 29.6 t80 -137.03 149.06 47.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.675 ' HE2' HD22 ' A' ' 131' ' ' LEU . 2.7 ptp -150.61 120.48 7.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -150.69 -170.8 18.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.1 143.98 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 111.174 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -78.61 -169.59 36.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -50.38 -34.14 23.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.76 159.74 14.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 31.5 m -88.11 -1.45 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.448 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 22.9 m80 -106.88 9.66 30.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.01 109.22 15.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -122.49 132.58 54.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -137.57 149.18 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.452 ' C ' ' CD1' ' A' ' 145' ' ' PHE . 6.6 p90 -138.63 143.25 39.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 56.8 mt -105.77 128.02 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.9 ptm -118.86 161.49 20.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -98.98 108.27 20.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 81.9 p -83.17 -43.53 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -119.21 -145.3 7.6 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -72.24 -56.19 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.758 0.313 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -124.02 11.4 8.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -83.45 133.55 34.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.561 ' CE2' ' HD3' ' A' ' 77' ' ' PRO . 1.4 m-85 -123.36 122.07 37.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.457 ' CD ' ' SD ' ' A' ' 71' ' ' MET . 3.1 tp10 -105.35 124.08 48.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 156' ' ' CYS . . . . . 0.467 ' HB2' HG13 ' A' ' 74' ' ' VAL . 1.8 t -97.99 131.83 44.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' HIS . . . . . 0.517 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 72.0 m-70 -129.11 132.6 47.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 13.6 t -111.18 150.41 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 36.3 m-85 -150.84 144.48 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.535 ' CE3' ' CZ3' ' A' ' 99' ' ' TRP . 25.8 t-105 -95.15 121.85 37.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.497 ' HA ' HG12 ' A' ' 66' ' ' VAL . 28.0 m -102.98 159.91 15.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.547 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 50.1 mt-10 -157.12 148.05 16.48 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.4 Cg_endo -69.79 1.05 5.52 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.329 0.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.514 ' OD1' ' ND2' ' A' ' 167' ' ' ASN . 5.1 p-10 -168.16 170.55 10.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -83.36 -13.32 55.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.07 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.785 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -51.34 -43.78 61.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.074 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 167' ' ' ASN . . . . . 0.514 ' ND2' ' OD1' ' A' ' 164' ' ' ASN . 1.3 m-80 -60.74 -58.6 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 169' ' ' SER . 74.1 t -65.49 -69.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 168' ' ' VAL . 66.3 p -35.32 -34.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 168' ' ' VAL . 7.2 tp10 -74.98 -52.44 11.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.58 -34.44 58.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 92.5 t -72.63 -52.81 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -47.64 -46.25 28.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.16 94.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -52.63 -46.28 66.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.896 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.524 HD13 ' HB ' ' A' ' 140' ' ' VAL . 15.7 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.766 0.317 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -51.2 -49.97 59.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.8 pttt -47.32 -34.74 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.2 mtp -75.52 -41.31 55.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -70.13 -21.88 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -87.44 -53.99 4.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -114.54 -61.31 1.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.69 -151.86 17.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.552 ' CE2' ' HG2' ' A' ' 173' ' ' GLN . 1.2 t80 -141.01 114.25 8.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -104.09 107.91 19.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 45.1 t-20 -72.78 113.19 19.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.605 0.717 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -44.53 1.98 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.649 2.232 . . . . 0.0 112.335 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.4 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.767 HG23 ' HB2' ' A' ' 107' ' ' ALA . 3.5 p . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.854 0.359 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -119.93 139.93 51.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -127.81 115.9 19.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -113.45 138.6 49.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -87.78 105.48 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.8 m -129.04 172.99 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -112.34 149.72 32.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -96.0 129.93 43.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.429 HD22 ' CG1' ' A' ' 158' ' ' VAL . 3.1 mp -98.35 -53.15 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 143.28 163.96 10.04 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.536 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.432 ' HB2' ' CE1' ' A' ' 157' ' ' HIS . 14.5 ttp -84.71 146.21 27.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.716 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -137.53 128.28 15.92 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.917 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.716 ' HD2' HD13 ' A' ' 72' ' ' LEU . 54.5 Cg_endo -69.7 122.98 9.67 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.349 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.7 m -109.51 168.29 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -100.32 -25.23 14.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -134.24 144.71 52.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.576 0.703 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -23.01 31.05 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.715 HG12 ' HB2' ' A' ' 133' ' ' PHE . 29.7 m -132.15 161.65 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.16 122.73 2.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.8 mmt -61.05 -45.22 95.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.779 0.323 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.45 -19.41 47.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.5 m -88.54 -37.92 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 tp -69.43 -55.58 9.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -50.0 -30.52 10.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.2 t -60.91 -37.37 82.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.66 -47.91 57.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.459 ' O ' ' CG ' ' A' ' 91' ' ' MET . 77.7 mt -53.05 -56.42 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.73 -33.23 71.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -60.59 -70.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.589 ' CD2' HD23 ' A' ' 72' ' ' LEU . 3.9 mm? -57.11 -32.18 66.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 87' ' ' ILE . 40.6 mmm -60.38 -32.59 71.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.4 p -87.82 -40.7 13.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.2 m -59.32 -50.8 72.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.2 m -120.4 169.63 10.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.9 m -105.41 179.18 4.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.579 ' HD2' ' CZ3' ' A' ' 99' ' ' TRP . 17.0 tptp -66.39 -36.13 82.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -73.83 -20.05 60.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -77.38 -29.36 53.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.579 ' CZ3' ' HD2' ' A' ' 96' ' ' LYS . 10.4 m0 -69.03 111.78 9.54 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.698 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 138.5 38.06 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.266 . . . . 0.0 112.334 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 m -67.33 127.3 32.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 31.6 m -135.47 149.07 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -96.56 120.35 36.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.7 ttm -89.71 133.48 34.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -112.54 139.12 48.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' ' 106' ' ' VAL . 9.6 t -129.15 44.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.767 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -89.89 148.27 23.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 t70 49.25 39.48 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.686 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 52.65 30.49 8.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.552 HG23 ' CG ' ' A' ' 127' ' ' ARG . 28.6 m -117.78 142.64 47.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.6 t -106.31 113.87 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 99.0 m -128.16 119.18 24.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.86 99.45 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 13.7 mm -90.32 150.64 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -81.72 124.04 29.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.81 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.401 ' O ' ' CD ' ' A' ' 116' ' ' GLU . 1.7 tm-20 -54.32 -20.25 6.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.04 -45.31 34.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -141.79 136.41 30.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.4 -43.48 81.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 0.6 OUTLIER -62.23 -19.59 63.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -75.73 85.91 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 122' ' ' VAL . 0.3 OUTLIER -88.83 91.27 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.153 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.41 -67.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 90.8 t -117.02 144.94 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -133.23 95.2 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.2 t -117.32 163.87 15.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.552 ' CG ' HG23 ' A' ' 110' ' ' THR . 17.9 mtt-85 -128.9 173.74 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 109' ' ' ALA . 30.9 m -78.7 -33.15 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.1 mtt-85 -62.07 -33.67 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -87.69 -26.94 22.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.765 HD21 ' HB3' ' A' ' 134' ' ' MET . 2.0 tt -53.39 121.29 7.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 88.9 p -92.39 -61.0 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.715 ' HB2' HG12 ' A' ' 78' ' ' VAL . 52.0 t80 -133.97 146.12 50.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.765 ' HB3' HD21 ' A' ' 131' ' ' LEU . 3.5 ptp -150.74 116.15 5.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -144.27 -173.56 15.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.4 t -122.33 145.57 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 111.135 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -79.11 -169.91 37.98 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -48.02 -44.64 31.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.762 0.315 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -89.41 146.3 24.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.524 ' HB ' HD13 ' A' ' 18' ' ' LEU . 30.4 m -85.27 18.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 13.3 m80 -117.78 13.93 14.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 71.2 p -132.69 112.08 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -117.42 128.2 54.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -131.3 148.47 52.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 6.7 p90 -140.01 134.18 31.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.3 mt -99.86 123.91 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.8 ptm -111.16 170.58 8.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -110.43 119.44 39.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 59.0 p -104.45 -45.02 4.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -115.08 -140.31 7.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -82.71 -61.39 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -117.86 11.63 13.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -87.89 138.03 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -137.08 133.72 35.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -110.96 125.02 53.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 6.2 t -104.37 108.71 20.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' HIS . . . . . 0.432 ' CE1' ' HB2' ' A' ' 71' ' ' MET . 87.2 m-70 -104.1 126.59 51.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.429 ' CG1' HD22 ' A' ' 69' ' ' LEU . 41.6 t -102.72 144.34 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -143.57 142.68 31.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.578 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 30.3 t-105 -98.07 131.17 44.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 66.1 m -116.21 158.96 22.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.554 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 54.1 mt-10 -148.69 146.6 22.49 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.65 0.738 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.1 Cg_endo -69.75 1.5 5.27 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.638 -1.817 . . . . 0.0 112.379 -0.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 164' ' ' ASN . 6.2 p-10 -171.81 173.43 4.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -94.62 27.04 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.499 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -74.87 -56.3 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.058 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -55.48 -52.99 61.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 94.2 t -58.04 -63.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 82.4 p -44.2 -45.64 8.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.31 -42.22 93.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -60.54 -44.07 96.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.069 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 172' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 175' ' ' ALA . 96.3 t -65.79 -37.37 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 173' ' ' GLN . . . . . 0.552 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 4.3 mt-30 -55.07 -63.5 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.67 -42.37 34.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 172' ' ' VAL . . . -41.19 -48.79 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 64.8 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.919 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m -52.24 105.66 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.906 0.384 . . . . 0.0 110.823 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -150.35 119.7 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.73 -134.98 3.23 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.441 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t 63.21 33.77 13.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.927 0.394 . . . . 0.0 110.87 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 p -87.65 -43.69 11.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.83 94.07 0.66 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.473 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -162.24 133.78 5.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.35 . . . . 0.0 110.837 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.62 83.54 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.95 81.46 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.7 p -134.72 148.76 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -82.77 153.28 67.39 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.566 0.698 . . . . 0.0 111.108 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -21.95 33.0 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.58 ' OE1' ' HB1' ' A' ' 166' ' ' ALA . 34.7 mm-40 -79.43 -26.65 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' OE2' HG11 ' A' ' 140' ' ' VAL . 79.0 mm-40 -81.98 -29.26 32.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -49.25 -38.35 26.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -85.96 -56.07 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.519 ' CD2' HG21 ' A' ' 136' ' ' VAL . 24.2 mt -46.12 -27.96 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 t -59.3 -60.37 3.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -54.43 -30.96 54.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.461 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 10.0 mtp -67.78 -42.14 82.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -73.13 -27.26 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -70.95 -65.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.401 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -103.42 -60.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.05 -149.73 17.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.478 ' CE1' ' SG ' ' A' ' 176' ' ' CYS . 2.3 t80 -143.99 108.16 4.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 110.933 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.531 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 21.7 mp0 -104.65 122.42 45.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 32.4 t-20 -65.17 123.16 83.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -41.12 4.59 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.3 m -56.01 -38.04 69.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.546 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 33.6 t80 -54.66 -31.32 57.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -100.06 -27.96 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -85.37 7.07 23.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 1.6 p90 -81.2 38.64 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -90.82 -39.49 12.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -84.66 98.2 10.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 63.8 mtm -152.81 167.33 29.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -122.2 89.59 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -87.42 158.46 18.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.2 p -126.58 151.43 47.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.82 82.52 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.437 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 m -118.57 161.32 20.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.816 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.2 t -47.12 124.16 6.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.22 51.23 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.9 m -51.38 106.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 t -162.32 159.3 25.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.87 52.26 0.68 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 t -168.82 151.82 5.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.368 . . . . 0.0 110.829 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.3 t -81.28 50.37 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.24 -143.89 23.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.0 t -128.46 152.41 48.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.1 m -105.28 -48.77 3.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.08 -157.29 28.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 157.95 58.66 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.655 2.237 . . . . 0.0 112.4 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.6 p -75.22 141.64 74.31 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.548 0.689 . . . . 0.0 111.183 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 174.34 9.57 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -88.82 165.03 14.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.8 t -166.84 147.74 5.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -103.52 -44.0 5.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.8 tp -96.17 146.75 24.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.784 HG23 ' HB2' ' A' ' 107' ' ' ALA . 8.1 p -172.85 141.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -120.27 133.11 55.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.02 124.51 50.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -120.44 130.54 54.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -80.78 106.17 12.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.0 m -132.24 169.57 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -105.82 159.85 15.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -106.68 131.07 54.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.635 HD22 HG11 ' A' ' 158' ' ' VAL . 4.8 mp -99.64 -39.95 8.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.35 172.1 13.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.5 ' HG3' ' CE1' ' A' ' 157' ' ' HIS . 18.8 ttp -89.87 146.99 24.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.486 HD22 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -141.57 124.24 9.49 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.611 0.719 . . . . 0.0 110.879 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.486 ' HD2' HD22 ' A' ' 72' ' ' LEU . 53.4 Cg_endo -69.75 137.2 34.92 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.292 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.0 m -120.69 177.99 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -107.87 -22.48 12.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -134.86 146.78 60.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -25.64 28.26 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.832 HG12 ' HB2' ' A' ' 133' ' ' PHE . 21.9 m -133.6 168.79 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.16 103.49 2.18 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.464 ' HA ' ' CE ' ' A' ' 80' ' ' MET . 2.8 mmt -41.68 -57.52 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.751 0.31 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -42.78 -42.68 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -62.95 -49.33 75.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.48 -54.48 46.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -48.64 -26.84 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 t -67.55 -45.48 75.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.41 77.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.4 HG22 ' SD ' ' A' ' 91' ' ' MET . 43.7 mt -53.08 -53.95 19.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.23 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -62.71 -58.24 8.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 90' ' ' LEU . 4.3 mm? -66.93 -51.44 55.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.4 ' SD ' HG22 ' A' ' 87' ' ' ILE . 58.0 mtp -40.05 -43.34 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.8 p -73.41 -37.1 66.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.4 t -64.58 -51.03 64.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.1 m -119.3 151.79 37.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.474 ' O ' ' CE2' ' A' ' 99' ' ' TRP . 3.6 m -81.1 174.21 11.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.55 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 75.4 tttt -62.64 -38.4 90.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -81.82 -34.73 30.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -52.73 -29.75 28.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.55 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 7.5 m0 -68.39 121.37 80.34 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.546 0.688 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 167.53 24.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t -93.53 143.15 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 34.6 m -153.45 146.94 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -98.19 126.33 43.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 50.2 ttm -96.23 128.56 43.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -105.62 132.1 52.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 106' ' ' VAL . 11.4 t -118.99 48.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.784 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -92.58 146.91 23.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.068 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.1 t70 46.27 49.0 13.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 175' ' ' ALA . . . 43.69 31.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.073 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.66 HG23 ' CD ' ' A' ' 127' ' ' ARG . 86.7 m -119.5 142.7 48.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.9 t -104.85 121.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.472 ' CG2' HG13 ' A' ' 122' ' ' VAL . 15.2 m -133.53 104.42 6.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.671 HG12 HD12 ' A' ' 123' ' ' LEU . 62.3 t -69.52 95.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 25.0 mm -84.0 146.86 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.619 ' HA ' HD11 ' A' ' 123' ' ' LEU . 1.2 t -76.72 136.13 39.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -66.53 -38.14 86.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -68.22 -36.25 79.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -135.55 123.82 23.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -67.29 -42.57 83.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.81 41.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -134.29 86.41 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.472 HG13 ' CG2' ' A' ' 112' ' ' THR . 53.9 t -72.2 99.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.671 HD12 HG12 ' A' ' 113' ' ' VAL . 9.4 mt -64.7 -45.44 86.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 52.9 t -145.37 135.89 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -117.91 110.5 17.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 4.6 t -126.14 147.55 49.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.66 ' CD ' HG23 ' A' ' 110' ' ' THR . 4.8 mmt85 -118.48 142.22 47.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.597 HG11 ' C ' ' A' ' 175' ' ' ALA . 6.9 m -51.05 -23.94 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -65.68 -47.14 76.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -73.54 -32.17 64.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.593 HD21 ' HB3' ' A' ' 134' ' ' MET . 2.7 tt -50.01 125.58 12.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.525 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 63.3 p -100.74 -57.5 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.832 ' HB2' HG12 ' A' ' 78' ' ' VAL . 18.3 t80 -134.59 153.64 51.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.593 ' HB3' HD21 ' A' ' 131' ' ' LEU . 5.7 ptp -161.52 129.99 4.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -164.24 -175.57 35.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.519 HG21 ' CD2' ' A' ' 18' ' ' LEU . 60.2 t -107.55 136.32 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 111.169 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -75.86 -154.61 5.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -59.97 -40.61 89.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -91.89 152.25 20.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.435 HG11 ' OE2' ' A' ' 15' ' ' GLU . 31.3 m -80.27 -10.36 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 3.9 m80 -102.19 19.06 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.2 p -124.46 106.74 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -124.75 128.42 48.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.432 ' HB2' HG22 ' A' ' 158' ' ' VAL . . . -133.63 152.05 51.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.504 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 27.7 p90 -138.71 129.98 27.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.413 ' CG2' ' HB3' ' A' ' 154' ' ' PHE . 58.9 mt -96.0 132.96 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.3 ptm -120.93 171.71 8.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -114.68 111.31 21.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.421 HG21 ' OE2' ' A' ' 155' ' ' GLU . 14.5 p -90.61 -4.37 56.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 104.95 163.79 24.01 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 61.67 37.11 16.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 56.44 36.28 27.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -109.89 134.69 51.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.413 ' HB3' ' CG2' ' A' ' 146' ' ' ILE . 4.2 m-85 -128.37 128.86 45.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.441 ' CD ' ' SD ' ' A' ' 71' ' ' MET . 84.3 mt-10 -111.51 117.89 34.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 11.9 t -94.31 109.79 21.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' HIS . . . . . 0.5 ' CE1' ' HG3' ' A' ' 71' ' ' MET . 89.2 m-70 -102.31 127.76 49.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.635 HG11 HD22 ' A' ' 69' ' ' LEU . 51.1 t -103.38 145.7 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 0.455 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 44.0 m-85 -144.62 136.35 25.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 25.4 t-105 -92.9 122.01 34.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.668 ' SG ' HG21 ' A' ' 168' ' ' VAL . 77.4 m -111.92 151.68 28.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.552 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 16.6 mm-40 -141.91 151.42 59.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.649 0.738 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.0 Cg_endo -69.74 0.17 5.86 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.374 -0.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.482 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 4.5 p30 -168.57 174.95 6.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -97.8 29.69 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.139 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.58 ' HB1' ' OE1' ' A' ' 14' ' ' GLU . . . -79.58 -45.08 19.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.23 -67.02 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.668 HG21 ' SG ' ' A' ' 161' ' ' CYS . 91.3 t -38.94 -68.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.4 t -45.67 -57.62 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' GLU . . . . . 0.412 ' HA ' ' CG ' ' A' ' 173' ' ' GLN . 13.6 tt0 -45.55 -52.36 10.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -57.54 -30.75 65.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.426 ' O ' ' HB3' ' A' ' 175' ' ' ALA . 93.4 t -78.07 -20.13 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' GLN . . . . . 0.412 ' CG ' ' HA ' ' A' ' 170' ' ' GLU . 14.2 mm-40 -57.53 -58.29 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.46 -24.98 66.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.608 ' O ' ' HB1' ' A' ' 109' ' ' ALA . . . -52.72 -37.22 58.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' CYS . . . . . 0.478 ' SG ' ' CE1' ' A' ' 26' ' ' TYR . 98.4 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 t 60.23 42.15 15.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.815 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -51.12 103.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.24 131.37 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -119.04 108.65 14.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.879 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 m -94.13 -50.47 5.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.02 53.84 0.14 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -126.44 174.08 8.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.41 179.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.82 43.54 18.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.566 HG22 ' N ' ' A' ' 12' ' ' THR . 14.5 p -73.37 163.87 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.566 ' N ' HG22 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -89.23 148.03 39.75 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.56 0.695 . . . . 0.0 111.181 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.88 7.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.267 . . . . 0.0 112.361 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.711 ' O ' HD12 ' A' ' 18' ' ' LEU . 1.5 mp0 -55.78 -23.95 32.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.563 ' CG ' HG23 ' A' ' 12' ' ' THR . 56.7 mm-40 -85.74 -59.17 2.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -47.47 -56.51 6.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -55.53 -42.39 74.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.799 HD11 ' HB2' ' A' ' 166' ' ' ALA . 22.2 mt -67.12 -32.24 73.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -62.22 -58.27 8.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -32.21 32.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 mtt -65.52 -36.58 84.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -83.21 -12.7 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -92.8 -59.58 2.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -111.71 -58.96 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.73 -168.96 13.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -133.14 112.65 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.903 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.557 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 19.5 mp0 -102.93 125.39 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 19.5 t-20 -56.45 127.87 72.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.685 0.755 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -34.72 14.03 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.719 2.279 . . . . 0.0 112.355 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.8 m -62.44 -51.27 68.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -43.06 -59.29 2.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -63.14 -70.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -54.91 121.16 8.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -97.84 -46.19 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -69.09 -65.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -79.76 81.84 5.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.9 mtt -91.0 113.31 25.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -63.31 -40.51 97.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -120.8 140.48 51.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.2 m -72.43 136.58 46.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.36 43.68 1.96 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 m 37.85 33.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.865 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.7 m -111.8 125.8 54.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 130.69 50.81 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.4 p -80.16 104.09 10.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.819 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -146.21 148.94 33.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.69 174.26 32.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.3 t -158.1 139.08 13.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' GLY . 4.8 m -155.29 158.6 39.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' SER . . . -37.86 120.69 0.88 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.471 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.2 p -132.28 162.05 31.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.84 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 m -123.73 22.94 8.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.37 83.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 110.75 2.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.9 p -116.13 148.39 41.4 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.623 0.725 . . . . 0.0 111.099 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 93.35 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -110.29 146.88 34.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.663 HG21 ' HB1' ' A' ' 107' ' ' ALA . 4.6 t -161.85 142.59 10.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -89.16 -46.75 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.0 tp -86.52 116.33 24.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.659 HG22 ' HB2' ' A' ' 107' ' ' ALA . 55.3 t -134.2 137.34 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -101.42 133.12 46.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -126.06 115.25 19.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -110.94 128.54 55.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -81.48 105.93 13.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.9 m -132.64 179.89 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -113.36 159.66 19.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.576 ' CE2' HG11 ' A' ' 113' ' ' VAL . 0.5 OUTLIER -108.77 129.05 55.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 -179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.546 HD22 HG11 ' A' ' 158' ' ' VAL . 5.0 mp -98.76 -49.34 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 138.3 163.62 9.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.472 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 11.6 tmm? -84.18 138.67 32.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.545 HD22 ' HD2' ' A' ' 73' ' ' PRO . 0.5 OUTLIER -131.05 125.13 20.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.545 ' HD2' HD22 ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.77 133.87 26.6 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.347 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.3 m -120.59 -178.76 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -108.65 -28.94 8.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -126.58 144.32 49.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.667 0.746 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -23.61 30.62 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.563 HG12 ' HB2' ' A' ' 133' ' ' PHE . 25.2 m -132.15 170.84 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.26 128.57 4.44 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.49 -47.89 79.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -54.41 -21.47 9.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.0 m -87.14 -34.28 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.411 HD21 ' O ' ' A' ' 135' ' ' GLY . 3.6 tp -68.3 -62.82 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -50.55 -27.05 5.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 t -62.08 -47.09 86.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.15 72.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.8 mt -52.87 -55.12 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.84 -35.01 77.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.19 -54.34 48.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.431 ' CD2' ' HB2' ' A' ' 72' ' ' LEU . 1.8 mm? -70.07 -40.68 74.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 56.6 mmm -51.08 -48.01 61.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 58.0 p -73.97 -23.91 59.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.9 m -67.25 -53.82 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.0 m -120.74 -177.38 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t -99.92 169.24 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.463 ' HA ' ' CE2' ' A' ' 99' ' ' TRP . 27.0 tttt -64.06 -27.69 69.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -81.74 -45.41 15.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -44.8 -35.53 2.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.463 ' CE2' ' HA ' ' A' ' 96' ' ' LYS . 11.4 m0 -56.65 109.68 1.86 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.562 0.696 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.6 40.59 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -67.58 139.25 56.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 28.5 m -148.06 145.26 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -94.07 121.7 35.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 46.3 ttm -88.24 129.22 35.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -105.96 135.78 46.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -128.11 41.24 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.663 ' HB1' HG21 ' A' ' 58' ' ' THR . . . -87.75 152.21 22.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.3 t70 46.57 40.3 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.511 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 50.9 34.63 10.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.057 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.0 m -125.05 142.16 51.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.088 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.6 t -103.75 118.84 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 51.9 m -131.38 107.45 8.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.576 HG11 ' CE2' ' A' ' 68' ' ' TYR . 84.5 t -72.43 97.71 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.9 mm -90.49 141.96 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.678 ' OG ' HD11 ' A' ' 123' ' ' LEU . 2.0 m -70.89 170.03 13.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -93.42 -22.32 18.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -68.61 -36.3 78.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -147.04 166.06 27.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -95.78 -21.77 17.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -95.31 24.71 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.478 ' OE1' ' CB ' ' A' ' 115' ' ' SER . 15.4 tt0 -103.87 76.85 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 122' ' ' VAL . 0.8 OUTLIER -70.61 88.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.678 HD11 ' OG ' ' A' ' 115' ' ' SER . 33.5 mt -66.55 -61.54 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.484 HG21 ' OH ' ' A' ' 68' ' ' TYR . 79.4 t -127.9 126.45 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -110.86 97.31 6.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.436 ' C ' ' HD2' ' A' ' 127' ' ' ARG . 5.7 t -113.04 150.28 32.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.436 ' HD2' ' C ' ' A' ' 126' ' ' CYS . 1.4 mpt_? -121.26 154.18 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.453 HG23 ' HD2' ' A' ' 129' ' ' ARG . 11.7 m -66.26 -36.67 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.486 ' CD ' ' H ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -67.68 -22.81 65.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -94.66 -21.92 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 132' ' ' SER . 2.1 tt -56.57 152.56 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.601 ' N ' HD23 ' A' ' 131' ' ' LEU . 43.9 p -115.78 -51.67 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.563 ' HB2' HG12 ' A' ' 78' ' ' VAL . 11.6 t80 -143.46 155.94 44.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.413 ' HE2' HD22 ' A' ' 131' ' ' LEU . 3.0 ptp -157.61 113.0 2.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.411 ' O ' HD21 ' A' ' 83' ' ' LEU . . . -142.16 179.14 20.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 91.9 t -109.66 146.2 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.906 0.384 . . . . 0.0 111.123 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -78.76 -151.21 5.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -65.75 -36.86 84.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.327 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.47 156.13 19.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 165' ' ' ALA . 17.4 m -76.87 4.5 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 42.0 m-70 -105.66 13.26 30.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.433 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 2.9 p -125.57 108.41 11.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -120.92 131.92 54.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -141.78 152.0 43.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 9.2 p90 -145.05 140.42 28.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 51.3 mt -100.73 130.34 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 10.8 ptm -119.54 150.35 40.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -96.89 113.44 24.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.618 HG21 ' OE2' ' A' ' 155' ' ' GLU . 39.9 p -86.32 -46.73 10.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 153.02 163.75 11.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 59.02 41.67 20.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 56.86 40.89 28.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -110.77 138.9 46.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -130.6 120.04 23.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.618 ' OE2' HG21 ' A' ' 149' ' ' THR . 34.3 mt-10 -105.61 124.64 49.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.8 t -100.44 112.96 25.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' HIS . . . . . 0.52 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 94.2 m-70 -103.1 131.2 50.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.546 HG11 HD22 ' A' ' 69' ' ' LEU . 52.6 t -108.99 147.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 30.0 m-85 -150.01 132.12 15.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.561 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 33.1 t-105 -86.93 122.98 31.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.36 154.66 25.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.542 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 49.7 mt-10 -153.48 153.76 29.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.599 0.714 . . . . 0.0 110.91 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.5 Cg_endo -69.8 -1.98 6.97 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.292 0.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 164' ' ' ASN . 4.2 p-10 -160.77 170.75 20.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -100.57 22.29 12.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.799 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -73.7 -52.04 14.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -61.22 -48.89 79.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.7 -62.39 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 49.7 m -49.64 -44.08 47.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -64.24 -42.95 96.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -64.05 -33.19 75.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 94.0 t -78.45 -35.26 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -71.54 -51.85 21.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -55.27 -41.57 72.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.511 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -50.61 -48.59 57.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 85.1 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.902 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -54.71 139.56 38.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -92.74 88.9 6.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.13 108.97 0.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 m -50.68 124.67 11.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.914 0.387 . . . . 0.0 110.847 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 p -117.34 -50.76 2.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 8' ' ' ASP . . . 178.64 -61.21 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' GLY . 23.3 p-10 -35.23 108.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.811 0.338 . . . . 0.0 110.824 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.35 86.82 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.63 126.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.148 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.461 HG13 ' CD ' ' A' ' 15' ' ' GLU . 88.6 t -89.77 153.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.415 ' N ' HG12 ' A' ' 11' ' ' VAL . 0.5 OUTLIER -101.62 143.53 26.79 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.593 0.711 . . . . 0.0 111.142 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 1.92 3.97 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -93.17 -27.94 16.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.461 ' CD ' HG13 ' A' ' 11' ' ' VAL . 6.4 pt-20 -85.01 -32.06 23.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.5 mmm-85 -43.65 -43.71 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -81.43 -59.69 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.455 HD13 ' HB ' ' A' ' 140' ' ' VAL . 20.1 mt -40.22 -40.41 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 22' ' ' GLN . 4.2 m -51.43 -71.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.3 -32.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.1 mmm -76.4 -35.46 58.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 19' ' ' SER . 45.2 mt-30 -77.07 -15.3 59.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -87.67 -62.57 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -107.31 -51.4 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.96 -161.21 14.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -132.15 111.96 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.926 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.551 ' OE1' HG11 ' A' ' 78' ' ' VAL . 27.1 mt-10 -98.9 108.73 21.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 14.8 t-20 -59.96 112.17 5.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.74 30.45 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.386 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.554 HG21 ' HD2' ' A' ' 129' ' ' ARG . 94.7 m -61.13 -42.38 98.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -60.56 -48.0 83.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.94 10.89 3.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -132.56 124.82 29.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.565 ' O ' ' CD2' ' A' ' 34' ' ' PHE . 88.4 t80 64.5 52.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -114.94 -52.52 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' MET . 8.0 tt0 -100.11 -44.63 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' GLN . 4.5 ptp 34.58 47.46 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -97.78 156.03 16.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -113.28 -61.85 1.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.7 t 53.63 39.42 30.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -109.6 -46.6 0.9 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 t -159.96 122.64 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.868 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.7 p -170.93 168.65 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.01 -55.34 0.69 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.2 t -155.35 153.46 30.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 0.0 110.82 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.3 p -122.31 165.06 16.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.61 -146.1 7.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.457 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 t -172.26 152.8 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 t -167.55 167.33 13.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.76 140.83 8.19 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 72.5 p -147.3 171.35 15.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.1 p -141.38 161.34 38.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.817 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.82 178.41 17.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 128.04 15.45 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.6 p -39.02 151.11 0.21 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 95.41 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.38 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -91.68 144.13 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.2 t -173.7 171.78 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -116.72 -42.02 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.4 tp -84.4 134.65 34.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.49 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.3 p -155.17 145.17 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -106.58 126.51 52.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -117.08 116.76 27.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -111.71 140.59 46.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -93.63 93.03 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.1 m -119.16 -175.73 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -118.82 163.34 17.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.438 ' CD2' HG11 ' A' ' 113' ' ' VAL . 0.5 OUTLIER -109.57 128.77 55.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.673 HD22 ' CG1' ' A' ' 158' ' ' VAL . 5.5 mp -97.96 -52.49 3.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.59 166.76 10.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.521 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.49 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 10.1 tmm? -85.6 148.84 25.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.7 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -141.08 127.89 11.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.632 0.729 . . . . 0.0 110.864 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.7 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.82 124.87 11.48 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.31 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 m -104.88 177.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -97.89 -33.73 11.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -134.03 161.07 65.97 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.567 0.699 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -21.45 33.29 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.653 2.235 . . . . 0.0 112.374 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.714 HG12 ' HB2' ' A' ' 133' ' ' PHE . 33.2 m -137.56 170.21 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.19 113.77 2.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.3 mmt -55.83 -51.62 66.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -50.86 -32.64 20.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.6 m -74.91 -45.65 41.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.63 -53.34 59.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -49.19 -30.81 7.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.2 t -64.64 -43.03 94.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.6 -50.06 74.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.431 ' HA ' HG21 ' A' ' 158' ' ' VAL . 49.4 mt -54.34 -55.18 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.582 ' O ' HG23 ' A' ' 92' ' ' THR . 27.7 mt-10 -63.26 -35.07 79.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -54.19 -62.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 93' ' ' SER . 3.2 mm? -63.26 -49.71 73.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 49.7 mmm -38.19 -52.23 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 88' ' ' GLU . 20.8 p -70.59 -30.57 67.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' LEU . 47.5 m -65.56 -53.01 48.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.7 m -121.09 152.17 38.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.4 p -75.89 164.52 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.504 ' HG3' ' CZ3' ' A' ' 99' ' ' TRP . 48.5 tttm -59.45 -29.43 67.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -85.1 -28.9 25.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -58.52 -38.71 78.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.504 ' CZ3' ' HG3' ' A' ' 96' ' ' LYS . 3.6 m0 -57.44 118.64 26.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.11 41.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.315 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.1 m -71.9 129.37 38.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.2 165.79 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -113.04 119.12 36.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.0 ttm -88.28 134.73 33.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -116.45 130.38 56.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 106' ' ' VAL . 10.9 t -114.05 35.07 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.49 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -78.21 151.59 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 t0 42.82 46.77 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.74 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 42.79 37.36 1.04 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.4 m -123.36 146.03 48.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.2 t -101.63 113.21 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.834 ' CG2' HG23 ' A' ' 122' ' ' VAL . 3.0 m -126.81 112.74 15.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.438 HG11 ' CD2' ' A' ' 68' ' ' TYR . 85.1 t -83.12 84.85 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' A' ' 122' ' ' VAL . 20.4 mm -73.06 153.59 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.2 t -87.38 153.75 21.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.63 -43.77 58.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -68.21 -42.83 79.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -120.27 141.82 49.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -96.39 -24.46 16.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -103.09 39.79 1.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 122' ' ' VAL . 6.4 tp10 -104.29 -27.43 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.834 HG23 ' CG2' ' A' ' 112' ' ' THR . 7.2 p 34.63 54.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 122' ' ' VAL . 7.4 mt -36.02 -57.19 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 74.3 t -124.77 145.22 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.41 ' OE1' HG21 ' A' ' 122' ' ' VAL . 20.4 tt0 -138.81 105.41 5.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.6 t -130.52 138.7 50.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -91.18 163.53 14.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.74 HG13 ' O ' ' A' ' 109' ' ' ALA . 19.7 m -71.75 -36.03 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.554 ' HD2' HG21 ' A' ' 30' ' ' THR . 10.8 mmm180 -65.23 -36.39 84.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -73.82 -29.49 62.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.444 HD21 ' HB3' ' A' ' 134' ' ' MET . 2.2 tt -52.27 133.85 34.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 89.5 p -94.46 -56.6 2.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.714 ' HB2' HG12 ' A' ' 78' ' ' VAL . 49.3 t80 -145.46 148.26 33.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.444 ' HB3' HD21 ' A' ' 131' ' ' LEU . 4.7 ptp -148.0 124.24 10.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -152.33 -178.45 27.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.0 t -114.17 138.2 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 111.155 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -74.5 -163.19 9.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -53.0 -44.81 67.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -85.81 156.74 20.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.455 ' HB ' HD13 ' A' ' 18' ' ' LEU . 27.3 m -84.41 -10.55 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.414 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 10.6 m-70 -101.3 18.11 20.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.421 ' HB ' HG21 ' A' ' 87' ' ' ILE . 19.9 p -124.09 106.23 10.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -123.07 131.07 53.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -136.95 149.63 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -136.59 142.11 43.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 20.5 mt -103.94 134.17 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.5 ptm -132.35 164.4 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -96.47 132.6 41.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.414 HG21 ' HG2' ' A' ' 155' ' ' GLU . 80.9 p -116.58 -38.13 3.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.106 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -122.59 -141.12 5.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -69.29 -63.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.512 ' O ' ' CZ ' ' A' ' 154' ' ' PHE . 16.8 mt-30 -128.25 14.6 6.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -76.29 145.24 39.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.512 ' CZ ' ' O ' ' A' ' 152' ' ' GLN . 3.0 m-85 -132.97 123.09 25.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.516 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 0.2 OUTLIER -108.84 120.19 41.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.54 111.36 23.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -102.64 126.92 49.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.673 ' CG1' HD22 ' A' ' 69' ' ' LEU . 41.5 t -101.01 148.13 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -146.78 137.02 23.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.414 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 57.1 t-105 -87.46 117.41 26.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.545 ' SG ' HG21 ' A' ' 168' ' ' VAL . 68.8 m -109.38 139.8 43.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.538 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -142.01 153.77 64.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 0.0 110.892 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.5 Cg_endo -69.85 -0.51 6.31 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.328 0.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.483 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 48.5 p-10 -174.03 155.16 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 169' ' ' SER . . . -66.62 -24.87 66.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.43 ' HB3' ' ND2' ' A' ' 164' ' ' ASN . . . -39.05 -36.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -73.82 -46.84 42.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.545 HG21 ' SG ' ' A' ' 161' ' ' CYS . 89.8 t -76.79 -61.68 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 165' ' ' ALA . 44.2 p -40.94 -38.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -72.21 -54.21 10.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.19 -43.6 42.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 67.3 t -69.56 -39.52 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -61.15 -45.14 95.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -58.76 -40.6 84.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.075 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.35 53.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 19.9 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 t -100.97 154.23 18.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.886 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -108.12 -62.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.66 89.66 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 p -51.44 164.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.913 0.387 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -99.61 -179.8 4.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.96 144.53 10.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.31 132.17 43.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.34 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.53 178.78 9.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.15 52.06 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.459 HG23 ' CD ' ' A' ' 15' ' ' GLU . 7.5 p -142.28 143.79 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -90.56 141.71 27.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.558 0.694 . . . . 0.0 111.16 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 2.62 3.35 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.312 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.85 -16.59 20.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 16' ' ' ARG . 2.7 pt-20 -95.81 -28.72 14.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 30.6 mtm180 -64.52 -38.88 92.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -82.65 -27.15 31.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.7 mt -69.54 -23.65 63.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -62.97 -63.21 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -46.55 -37.58 8.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.3 mmt -58.15 -44.61 87.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -77.58 -39.64 44.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -51.58 -67.71 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -124.49 -31.47 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.57 -138.41 13.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -155.56 117.07 3.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.532 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 15.6 mp0 -106.13 117.6 34.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -57.56 119.42 32.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.633 0.73 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.533 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 53.8 Cg_endo -69.76 -23.58 30.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.5 m -71.14 -21.22 62.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -83.1 -19.67 36.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -109.79 25.86 11.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.94 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 29' ' ' PRO . 3.9 m-30 -106.79 145.8 31.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 35' ' ' GLU . 34.4 t80 -131.13 -37.18 1.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 34' ' ' PHE . 36.2 mt-10 -35.67 -62.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -101.93 -39.24 7.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.452 ' C ' ' O ' ' A' ' 36' ' ' GLN . 8.3 ttp 34.54 34.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 36' ' ' GLN . 32.5 tp60 -102.61 143.75 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -117.14 172.33 7.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.45 161.16 19.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' SER . . . 140.1 -61.06 0.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 41' ' ' GLY . 54.9 p -34.53 112.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.5 t -111.89 98.84 7.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.28 -164.73 52.13 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.0 p -143.93 170.67 15.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.844 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.7 p -49.53 162.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.24 86.57 1.78 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t -164.11 147.75 9.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.8 t -96.71 -48.28 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -97.63 65.62 0.86 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 50' ' ' GLY . 15.7 m -35.91 134.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.935 0.397 . . . . 0.0 110.841 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -141.02 175.3 9.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.28 80.62 0.33 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 99.83 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.719 2.279 . . . . 0.0 112.366 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.8 p -81.18 144.45 54.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.55 0.691 . . . . 0.0 111.165 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 114.55 3.73 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.634 2.223 . . . . 0.0 112.371 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -38.46 111.81 0.19 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 48.8 m -123.4 122.63 38.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -128.41 -46.24 1.33 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.0 tp -94.22 117.8 30.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.8 p -145.47 142.29 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -115.08 132.25 56.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -119.45 125.42 48.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -118.38 137.27 53.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.1 ttp180 -89.6 99.02 12.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.8 m -123.8 -179.21 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -118.29 157.61 26.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -101.26 130.61 47.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.546 HD13 HG12 ' A' ' 158' ' ' VAL . 2.8 mp -99.49 -41.45 7.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.54 156.05 8.5 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.44 ' HG2' ' N ' ' A' ' 72' ' ' LEU . 20.9 ttp -77.3 148.48 35.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.568 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -139.02 126.52 13.22 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.644 0.735 . . . . 0.0 110.924 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.568 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.5 Cg_endo -69.77 125.43 12.13 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.25 . . . . 0.0 112.325 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.0 m -115.18 171.67 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -104.68 -25.95 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.5 mtt85 -127.09 143.13 45.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.453 ' HA ' HG21 ' A' ' 146' ' ' ILE . 53.6 Cg_endo -69.77 -21.63 33.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.872 HG12 ' HB2' ' A' ' 133' ' ' PHE . 15.0 m -137.69 171.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.24 119.44 3.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.575 ' CE ' HD22 ' A' ' 83' ' ' LEU . 5.7 mmt -51.89 -54.65 26.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.734 0.302 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -45.1 -35.01 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.9 m -76.95 -32.88 57.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.575 HD22 ' CE ' ' A' ' 80' ' ' MET . 2.5 tp -68.32 -61.91 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -53.34 -18.96 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.9 t -69.53 -45.71 68.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.48 -51.61 54.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.415 HG21 ' HB ' ' A' ' 142' ' ' THR . 56.8 mt -51.92 -51.61 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -65.04 -35.4 81.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.435 ' O ' HG22 ' A' ' 92' ' ' THR . 3.1 m120 -60.17 -55.11 37.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 90' ' ' LEU . 2.5 mm? -69.32 -40.18 77.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 29.6 mtp -52.59 -45.02 66.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 89' ' ' ASN . 2.2 t -80.48 -18.52 48.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.0 t -75.82 -47.22 26.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 m -123.67 179.71 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.464 ' O ' ' CD1' ' A' ' 99' ' ' TRP . 1.5 p -102.04 164.36 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.54 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 41.7 tttm -61.49 -32.22 72.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -82.17 -39.27 23.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -56.27 -17.96 9.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.54 ' CE3' ' HA ' ' A' ' 96' ' ' LYS . 30.1 m0 -74.48 116.59 54.66 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.518 0.675 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 143.7 51.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.384 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.5 m -76.67 137.12 39.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.1 m -142.99 150.34 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -97.12 118.67 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 59.9 ttm -89.37 132.22 35.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -109.09 141.8 40.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 106' ' ' VAL . 48.4 t -128.64 41.39 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.02 152.22 22.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t70 47.04 42.38 12.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.689 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 49.31 31.48 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.2 m -121.99 140.43 52.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 126' ' ' CYS . 93.3 t -101.9 112.34 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 36.9 m -124.27 116.1 22.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.144 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.639 HG21 ' CE2' ' A' ' 159' ' ' PHE . 96.1 t -81.55 98.26 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.1 mm -87.45 146.1 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.4 t -79.75 122.07 26.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -48.37 -21.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -59.71 -46.43 89.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -140.1 -176.52 4.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -109.45 -15.08 14.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -106.94 20.09 19.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -105.49 80.16 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 122' ' ' VAL . 0.8 OUTLIER -75.39 101.35 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mt -76.23 -59.39 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 43.1 t -126.01 121.17 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -105.59 95.04 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 111' ' ' VAL . 34.3 t -111.86 141.76 45.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -115.65 174.26 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 109' ' ' ALA . 29.6 m -83.53 -48.11 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.549 ' N ' HG23 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -57.63 -18.35 19.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -100.58 -25.11 14.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.803 HD23 ' N ' ' A' ' 132' ' ' SER . 3.7 tt -56.8 140.43 47.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.803 ' N ' HD23 ' A' ' 131' ' ' LEU . 14.8 m -102.58 -59.79 1.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.872 ' HB2' HG12 ' A' ' 78' ' ' VAL . 14.9 t80 -134.36 159.03 42.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.461 ' HE1' HD13 ' A' ' 131' ' ' LEU . 2.4 ptt? -161.67 124.74 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -154.57 -176.11 26.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.537 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 71.5 t -114.78 135.79 53.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.18 -163.64 0.45 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -59.97 -35.48 75.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -98.05 168.68 10.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 165' ' ' ALA . 35.4 m -90.77 0.74 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.484 ' HB3' ' CE2' ' A' ' 160' ' ' TRP . 21.5 m80 -107.63 13.72 26.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.415 ' HB ' HG21 ' A' ' 87' ' ' ILE . 31.8 p -125.43 113.72 17.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.415 ' CD1' ' OG ' ' A' ' 169' ' ' SER . 35.8 t80 -131.97 133.99 45.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.503 ' HB2' HG22 ' A' ' 158' ' ' VAL . . . -142.35 162.56 35.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.07 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -152.02 145.84 25.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.453 HG21 ' HA ' ' A' ' 77' ' ' PRO . 3.0 mp -102.72 140.77 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 17.1 ptm -129.94 147.3 51.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -93.79 103.17 15.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 70.0 p -88.71 25.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 75.83 163.24 13.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 62.64 42.7 8.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.826 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 45.86 33.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -103.53 131.37 50.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -123.33 122.28 37.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.527 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 2.4 mp0 -106.35 123.79 48.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.0 t -96.44 107.63 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -104.48 129.14 52.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.546 HG12 HD13 ' A' ' 69' ' ' LEU . 45.8 t -111.5 146.59 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 0.639 ' CE2' HG21 ' A' ' 113' ' ' VAL . 28.1 m-85 -146.13 131.47 18.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.484 ' CE2' ' HB3' ' A' ' 141' ' ' HIS . 36.7 t-105 -83.27 129.85 35.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.482 ' SG ' HG21 ' A' ' 168' ' ' VAL . 22.0 m -121.83 147.91 45.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 1.1 pp20? -146.08 156.62 50.8 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.647 0.737 . . . . 0.0 110.872 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.9 Cg_endo -69.71 -1.33 6.51 Favored 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.316 -0.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.486 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 13.8 p-10 -160.28 173.76 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -102.16 29.52 5.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -81.48 -46.49 14.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -63.4 -59.71 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.482 HG21 ' SG ' ' A' ' 161' ' ' CYS . 54.6 t -48.61 -72.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' SER . . . . . 0.415 ' OG ' ' CD1' ' A' ' 143' ' ' PHE . 3.5 m -40.11 -51.55 2.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -49.79 -54.87 16.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -54.04 -42.42 69.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.48 -36.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -65.26 -61.14 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -54.45 -41.38 69.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.067 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -47.08 -41.17 16.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -147.77 171.07 16.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -174.38 135.61 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.57 -157.5 11.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -139.18 149.19 44.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.892 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -99.01 132.7 44.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.7 45.63 1.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -133.13 130.98 39.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.342 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.12 80.33 8.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.69 107.51 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.8 t -88.56 138.43 19.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -101.37 156.35 35.27 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.569 0.699 . . . . 0.0 111.148 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -17.59 37.55 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.656 2.237 . . . . 0.0 112.38 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.59 -20.18 40.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -85.79 -35.81 20.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -41.64 -31.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -93.53 -52.45 4.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.434 ' CD2' HG21 ' A' ' 136' ' ' VAL . 17.1 mt -47.61 -37.01 11.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.1 p -56.52 -72.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -44.33 -25.82 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.3 mtt -78.32 -43.69 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -71.59 -35.75 70.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -63.39 -67.1 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -109.69 -54.85 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.67 -153.08 16.73 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.524 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.464 ' CD1' ' NE2' ' A' ' 173' ' ' GLN . 29.2 t80 -141.82 110.89 6.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -102.23 125.45 48.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 29.1 t-20 -66.36 119.76 64.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m -49.01 -38.94 24.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -64.59 -71.36 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.63 -27.75 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -87.83 149.1 24.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -108.73 -46.54 3.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -47.04 -34.11 5.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -75.58 74.09 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 10.6 mmt -136.17 174.82 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -58.06 150.68 20.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -123.99 135.16 53.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 t -85.39 -57.16 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.12 -90.1 0.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.463 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.0 m -76.85 149.89 36.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.845 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -130.82 104.62 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.94 92.41 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 t 67.43 41.49 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.382 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.1 p -99.48 156.73 16.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.18 159.96 14.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.6 m -79.39 -46.96 16.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.831 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.9 m -56.73 166.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.56 -120.44 1.0 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.1 m -144.0 155.99 44.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.882 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.1 p -97.35 -50.72 4.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.35 156.09 12.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 162.2 42.99 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.0 p -109.02 152.55 42.52 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.546 0.688 . . . . 0.0 111.138 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -179.55 2.99 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 pttt -81.9 161.99 22.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.639 ' CG2' ' HB1' ' A' ' 107' ' ' ALA . 4.5 m -121.99 45.64 2.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 60' ' ' LEU . 6.6 pt-20 -55.41 -34.76 64.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.454 ' C ' HD23 ' A' ' 60' ' ' LEU . 10.0 tt -93.54 130.22 39.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.642 HG23 ' HB2' ' A' ' 107' ' ' ALA . 5.5 p -164.86 140.97 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -123.79 132.42 53.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -116.47 125.12 51.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -116.79 156.45 27.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -106.43 100.77 10.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' A' ' 161' ' ' CYS . 6.6 m -124.47 175.84 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -112.07 153.92 26.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -99.32 129.28 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.514 HD13 HG12 ' A' ' 158' ' ' VAL . 3.2 mp -99.6 -39.61 8.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.57 166.42 12.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.531 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.465 ' HB2' ' CE1' ' A' ' 157' ' ' HIS . 23.3 ttp -83.07 151.33 25.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.629 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -143.53 124.78 8.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 110.965 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.629 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.7 Cg_endo -69.73 127.91 15.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.338 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.66 165.68 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.87 -26.72 16.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -133.41 146.46 60.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -24.28 30.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.238 . . . . 0.0 112.378 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.1 m -128.14 173.38 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.23 117.48 3.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.8 mmt -53.07 -54.67 32.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -47.91 -42.73 27.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.5 m -60.26 -37.93 81.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 tp -70.36 -61.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -42.5 -33.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.0 t -60.88 -43.14 98.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.31 -53.64 45.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 48.0 mt -50.45 -55.88 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.11 -37.3 82.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -56.34 -61.97 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.55 ' CD2' HD23 ' A' ' 72' ' ' LEU . 4.4 mm? -61.89 -39.92 93.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 44.7 mmm -51.72 -42.29 62.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 71.4 p -79.7 -40.74 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.4 t -57.83 -53.61 56.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 m -109.23 -175.67 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 71.6 m -116.7 159.71 21.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.577 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 13.6 tttp -46.86 -47.13 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -69.53 -44.34 71.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -42.98 -40.47 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.577 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 4.7 m0 -59.94 111.0 3.27 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.542 0.687 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 99' ' ' TRP . 53.8 Cg_endo -69.74 143.91 52.44 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.643 2.229 . . . . 0.0 112.355 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.7 m -69.52 138.5 53.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.3 m -147.18 154.47 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -107.39 121.16 44.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 23.2 ttm -92.53 129.97 38.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 -100.09 131.49 46.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 106' ' ' VAL . 26.3 t -118.87 50.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.642 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -101.75 148.34 25.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.069 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 t70 43.73 50.38 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.694 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 41.61 34.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.455 HG23 ' HD2' ' A' ' 127' ' ' ARG . 96.5 m -119.52 135.17 54.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.4 t -101.98 112.81 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.698 HG23 HG13 ' A' ' 122' ' ' VAL . 57.5 m -127.46 107.61 10.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 82.6 t -69.85 94.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 21.8 mm -81.48 147.44 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -78.93 140.26 38.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.06 -45.57 70.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.427 ' C ' ' OD1' ' A' ' 118' ' ' ASN . 13.6 pttm -62.14 -35.93 80.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 117' ' ' LYS . 5.4 m-20 -135.07 120.79 19.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -68.48 -42.46 78.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -81.65 41.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -133.21 84.9 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.698 HG13 HG23 ' A' ' 112' ' ' THR . 55.1 t -71.64 103.23 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.5 mt -72.49 -50.71 24.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 91.1 t -133.47 131.82 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -117.77 108.72 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 18.8 t -127.63 153.56 46.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.455 ' HD2' HG23 ' A' ' 110' ' ' THR . 21.7 mmm-85 -123.08 134.66 54.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 109' ' ' ALA . 3.4 m -45.77 -24.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -64.85 -45.37 86.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.423 ' CD2' ' HB2' ' A' ' 127' ' ' ARG . 62.3 m-85 -75.27 -33.44 61.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.579 HD21 ' HB3' ' A' ' 134' ' ' MET . 2.4 tt -43.67 131.0 5.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.459 ' N ' HD23 ' A' ' 131' ' ' LEU . 27.5 p -102.73 -55.23 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -138.39 141.85 39.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.579 ' HB3' HD21 ' A' ' 131' ' ' LEU . 5.0 ptp -146.69 122.41 10.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -156.39 -177.2 29.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.535 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.434 HG21 ' CD2' ' A' ' 18' ' ' LEU . 97.6 t -112.05 137.7 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -75.93 -164.67 16.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -51.1 -45.4 61.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -84.95 152.8 23.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.831 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.9 m -79.58 -12.33 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 11.9 m-70 -102.21 19.59 18.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.802 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.0 p -118.74 105.08 11.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.197 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -118.49 129.95 55.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -138.75 142.78 38.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 19.8 p90 -140.75 130.68 24.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 21.4 mt -96.88 124.67 49.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 9.2 ptm -114.03 163.0 15.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -99.45 120.29 39.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 64.6 p -101.81 -44.29 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -121.88 -142.91 6.42 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -71.52 -67.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.741 0.305 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -118.13 24.8 10.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -91.95 131.05 37.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -128.54 120.68 27.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -107.32 122.36 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.0 t -102.52 110.02 21.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' HIS . . . . . 0.465 ' CE1' ' HB2' ' A' ' 71' ' ' MET . 88.8 m-70 -104.88 132.42 51.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.514 HG12 HD13 ' A' ' 69' ' ' LEU . 38.7 t -106.98 144.89 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -144.16 131.0 20.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 27.5 t-105 -83.82 108.97 17.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.438 ' SG ' HG21 ' A' ' 168' ' ' VAL . 96.1 m -91.85 149.37 21.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.548 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 9.2 mm-40 -145.28 148.34 37.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.82 -0.49 6.26 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.313 0.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.448 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 31.2 p-10 -169.93 169.49 8.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -74.28 -29.85 61.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 170' ' ' GLU . . . -41.36 -37.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -69.35 -57.53 5.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.438 HG21 ' SG ' ' A' ' 161' ' ' CYS . 72.9 t -69.34 -62.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.5 p -41.7 -44.3 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 166' ' ' ALA . 7.8 tt0 -59.93 -58.92 6.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.435 ' HB1' HG11 ' A' ' 106' ' ' VAL . . . -49.08 -40.4 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.34 -64.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' GLN . . . . . 0.464 ' NE2' ' CD1' ' A' ' 26' ' ' TYR . 39.6 tt0 -45.79 -48.76 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -55.28 -45.07 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.694 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -48.25 -44.19 33.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 72.2 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.882 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 56.69 41.93 27.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 110.879 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -59.42 -58.07 10.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.38 -174.69 20.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.531 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 p -108.2 163.93 12.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -119.53 149.14 42.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.07 44.75 93.79 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -83.76 150.77 25.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.349 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.23 43.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.16 118.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.7 t -85.13 136.33 23.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.404 ' H ' HG23 ' A' ' 12' ' ' THR . 1.0 OUTLIER -66.13 147.62 98.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.688 . . . . 0.0 111.156 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -10.88 29.65 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.722 2.282 . . . . 0.0 112.321 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -92.25 -31.47 15.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.03 -40.94 97.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -55.7 -35.08 65.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -79.91 -40.15 28.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.427 HD13 ' CG1' ' A' ' 140' ' ' VAL . 60.6 mt -64.07 -42.77 96.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.4 p -51.24 -61.62 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -53.92 -28.12 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.1 mtp -76.71 -36.5 57.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -78.74 -32.05 46.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -78.65 -60.89 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -97.5 -68.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.17 -151.03 17.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 173' ' ' GLN . 24.5 t80 -153.86 105.93 2.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.351 . . . . 0.0 110.924 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -98.33 127.37 44.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 38.6 t-20 -73.2 112.34 15.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.73 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 28' ' ' ASN . 53.9 Cg_endo -69.74 -37.55 9.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 31' ' ' TYR . 28.8 m -54.79 -48.34 72.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 31' ' ' TYR . 1.7 t80 -37.59 -35.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.495 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 9.9 tptp -87.88 -47.78 8.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.495 ' CD1' ' HG3' ' A' ' 32' ' ' LYS . 23.2 m-85 -115.58 117.38 30.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -105.08 -36.88 7.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 1.6 mp0 -55.62 -76.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -58.07 91.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.5 mtp -98.42 156.05 16.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -69.27 -52.34 28.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -56.88 112.95 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 t -51.6 169.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.75 134.04 7.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.5 m -102.24 106.58 17.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.38 . . . . 0.0 110.863 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 m -77.65 -55.89 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.9 159.25 7.85 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.1 t -85.13 -51.83 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.84 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 p -164.99 115.18 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.23 -139.96 9.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 84.0 p -76.5 -45.53 30.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 82.8 p -162.82 139.63 7.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.86 110.01 2.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.0 m -72.76 105.37 4.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.4 m -55.49 109.93 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.74 89.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' THR . 53.9 Cg_endo -69.77 -176.99 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' PRO . 82.6 p -37.07 141.33 0.41 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.588 0.708 . . . . 0.0 111.132 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 106.33 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.36 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -122.9 107.25 11.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.407 HG21 ' HB1' ' A' ' 107' ' ' ALA . 53.9 m -147.49 144.26 28.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -124.18 -51.7 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 tp -91.2 136.05 33.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 p -152.74 139.67 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.079 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -114.81 123.3 48.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -105.62 127.02 52.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -118.05 146.44 44.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -96.24 111.97 23.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.805 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.427 ' CG1' ' SG ' ' A' ' 161' ' ' CYS . 12.3 m -142.69 178.37 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -116.68 155.96 27.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.427 ' CE2' HG11 ' A' ' 113' ' ' VAL . 0.5 OUTLIER -101.37 128.9 47.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.872 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.808 HD22 HG11 ' A' ' 158' ' ' VAL . 3.2 mp -98.86 -46.65 5.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.51 167.51 11.19 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.485 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 10.9 tmm? -88.79 140.82 29.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.756 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -134.63 126.73 18.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 110.922 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.756 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.2 Cg_endo -69.83 122.63 9.29 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.331 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.0 m -104.58 165.17 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.12 -27.85 19.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -132.09 150.07 75.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.584 0.706 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.44 ' HD3' ' CE2' ' A' ' 154' ' ' PHE . 53.8 Cg_endo -69.72 -26.96 27.24 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.748 2.299 . . . . 0.0 112.36 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.623 HG12 ' HB2' ' A' ' 133' ' ' PHE . 15.0 m -132.11 168.42 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.84 133.42 4.57 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 mmt -66.93 -59.79 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -43.87 -46.62 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -57.88 -40.02 79.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.96 -54.43 30.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -45.96 -30.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.3 t -63.54 -45.76 89.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.7 -56.86 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.112 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 32.6 mt -47.72 -56.97 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.65 -41.21 94.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -50.47 -59.57 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.467 ' CD2' HD23 ' A' ' 72' ' ' LEU . 4.4 mm? -66.87 -43.11 84.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 45.0 mtp -51.39 -26.21 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.4 p -93.96 -43.98 8.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.2 m -56.96 -50.07 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.4 m -113.44 -178.58 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.402 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 10.8 m -105.39 166.84 10.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.575 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 38.9 tttm -63.59 -39.67 94.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.15 -40.72 37.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -47.77 -32.03 5.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.575 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 15.6 m0 -59.34 115.59 12.93 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.553 0.692 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 140.12 41.74 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.318 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.9 m -69.25 141.03 54.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 27.4 m -151.32 146.51 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -96.82 122.76 40.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.447 ' SD ' HG22 ' A' ' 113' ' ' VAL . 17.1 tpp -89.2 135.61 33.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -107.53 140.23 40.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 106' ' ' VAL . 11.0 t -130.81 46.04 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.407 ' HB1' HG21 ' A' ' 58' ' ' THR . . . -92.54 151.79 19.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.9 t70 42.77 48.27 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.444 ' O ' HG22 ' A' ' 128' ' ' VAL . . . 45.24 36.73 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.8 m -123.3 140.66 52.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.4 t -104.79 117.84 51.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 34.8 m -131.42 121.73 25.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.447 HG22 ' SD ' ' A' ' 104' ' ' MET . 69.6 t -84.47 98.54 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.2 mm -92.2 146.61 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.4 t -75.11 158.65 32.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.02 -32.45 30.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -63.17 -49.33 74.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -123.04 173.14 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -110.63 -19.0 13.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -100.11 29.45 4.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -110.96 78.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 122' ' ' VAL . 0.8 OUTLIER -73.62 85.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.91 -50.87 69.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.403 HG21 ' OH ' ' A' ' 68' ' ' TYR . 96.4 t -133.25 134.53 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -128.11 100.87 6.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.528 ' HG ' ' CB ' ' A' ' 147' ' ' MET . 2.4 t -121.58 144.95 48.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -110.36 139.78 45.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.485 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.7 m -46.5 -26.95 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -62.52 -45.77 91.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -75.53 -27.98 58.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.604 HD21 ' HB3' ' A' ' 134' ' ' MET . 2.2 tt -48.33 124.97 8.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.0 m -94.92 -64.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.623 ' HB2' HG12 ' A' ' 78' ' ' VAL . 25.6 t80 -132.29 148.45 52.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.604 ' HB3' HD21 ' A' ' 131' ' ' LEU . 6.5 ptp -148.66 123.34 9.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -157.63 174.97 35.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.7 t -107.22 144.64 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 111.19 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.18 -160.84 22.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -54.61 -43.67 72.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.331 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -90.59 166.08 13.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.427 ' CG1' HD13 ' A' ' 18' ' ' LEU . 33.0 m -91.05 -12.62 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.165 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.54 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 2.5 m80 -96.09 19.16 12.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 13.7 p -125.09 105.19 8.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -123.77 128.29 49.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -139.05 152.72 47.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 23.4 p90 -144.35 134.53 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 66.8 mt -95.33 128.66 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.528 ' CB ' ' HG ' ' A' ' 126' ' ' CYS . 9.3 ptm -113.81 165.75 12.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.46 122.29 45.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 75.4 p -100.68 -42.24 6.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.48 -129.65 3.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -89.63 -66.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.311 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -109.66 24.89 12.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -103.33 131.95 49.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.44 ' CE2' ' HD3' ' A' ' 77' ' ' PRO . 3.1 m-85 -133.12 122.49 24.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -107.5 122.73 47.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.7 t -105.98 112.85 26.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' HIS . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 159' ' ' PHE . 95.4 m-70 -102.78 123.35 46.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.808 HG11 HD22 ' A' ' 69' ' ' LEU . 96.8 t -96.21 144.17 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 157' ' ' HIS . 54.7 m-85 -144.47 139.06 28.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.54 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 20.2 t-105 -99.17 127.68 45.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.591 ' SG ' HG21 ' A' ' 168' ' ' VAL . 71.0 m -115.92 151.87 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.558 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 52.3 mt-10 -139.82 148.01 53.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.888 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.7 Cg_endo -69.82 0.6 5.77 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.316 0.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.456 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 1.1 p-10 -175.08 178.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -100.8 40.45 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.419 ' CB ' HD22 ' A' ' 164' ' ' ASN . . . -83.71 -39.32 20.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -79.91 -42.0 25.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.591 HG21 ' SG ' ' A' ' 161' ' ' CYS . 72.3 t -63.61 -67.58 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 33.0 p -45.01 -38.96 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -68.92 -47.91 64.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -54.89 -41.29 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 175' ' ' ALA . 57.6 t -68.25 -49.27 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' GLN . . . . . 0.575 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 25.8 tt0 -46.81 -49.52 19.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.02 76.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 172' ' ' VAL . . . -52.37 -47.87 65.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 176' ' ' CYS . . . . . 0.434 ' SG ' ' CE1' ' A' ' 26' ' ' TYR . 13.8 p . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 p 44.56 49.81 8.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.846 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -150.76 149.62 29.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.82 112.94 0.29 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -86.93 137.57 32.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.846 0.355 . . . . 0.0 110.887 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -59.54 -57.71 11.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.62 80.79 0.32 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -146.41 142.0 27.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.88 38.99 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.24 99.53 5.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 81.1 t -95.76 143.19 12.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -79.77 153.41 75.51 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.565 0.698 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -24.35 29.92 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.688 2.259 . . . . 0.0 112.371 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -76.07 -30.7 58.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.62 ' OE2' HG11 ' A' ' 140' ' ' VAL . 60.8 mm-40 -77.21 -35.46 55.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -42.22 -32.62 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -89.84 -52.18 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 166' ' ' ALA . 17.6 mt -53.12 -55.49 23.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 18' ' ' LEU . 2.3 p -34.12 -48.23 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.839 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -55.03 -54.77 38.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 47.8 mmm -52.73 -38.23 60.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -73.42 -20.88 60.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -84.38 -59.12 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -114.84 -55.13 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.54 -140.23 14.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -158.53 119.96 3.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.878 0.37 . . . . 0.0 110.904 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -100.68 109.82 21.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -58.45 120.68 46.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.669 0.747 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -23.68 30.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.0 p -64.55 -52.61 56.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -42.74 -45.94 4.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -76.7 -54.28 6.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -60.41 130.32 46.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -115.75 -57.74 2.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -42.97 -55.77 3.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 -89.12 91.09 8.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.6 ptp -114.67 174.31 6.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -64.28 -29.47 70.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -69.49 154.24 42.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -96.77 123.26 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 179.61 91.4 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.7 m -122.89 39.97 3.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 110.89 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -147.13 149.31 32.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.8 -64.81 0.44 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.1 p 41.41 41.56 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.4 t -93.59 -54.06 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.46 -84.13 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m -102.44 83.93 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.359 . . . . 0.0 110.87 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.2 m -104.97 176.77 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -179.74 141.58 4.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.5 t -153.82 168.15 27.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.835 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.4 p -163.28 158.21 21.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.3 146.02 10.97 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.526 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 95.96 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.698 2.265 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.9 p -66.47 143.48 98.23 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.582 0.705 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 125.82 12.57 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -68.46 175.27 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.3 p -124.11 123.03 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -47.46 -34.35 7.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.9 tp -75.67 142.65 42.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.781 HG23 ' HB2' ' A' ' 107' ' ' ALA . 3.4 p -161.95 138.47 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -102.8 138.18 40.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -127.01 113.32 16.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -108.58 135.88 49.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -86.86 107.91 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.2 m -131.58 163.49 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -103.61 147.92 26.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.39 129.64 39.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mp -100.72 -47.94 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.964 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.59 162.5 9.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.489 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 11.1 tmm? -81.21 149.3 29.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.555 HD22 ' HD2' ' A' ' 73' ' ' PRO . 0.5 OUTLIER -140.17 123.62 10.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.555 ' HD2' HD22 ' A' ' 72' ' ' LEU . 53.5 Cg_endo -69.82 119.95 6.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.443 ' CG1' HG22 ' A' ' 82' ' ' THR . 2.4 m -102.78 -180.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -103.32 -31.11 10.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -128.8 149.0 70.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.563 0.697 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.67 34.44 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.731 HG12 ' HB2' ' A' ' 133' ' ' PHE . 27.2 m -139.72 156.43 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 127.76 122.09 2.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.6 mmt -57.45 -60.51 3.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -38.76 -37.18 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.443 HG22 ' CG1' ' A' ' 74' ' ' VAL . 10.8 m -73.38 -45.15 56.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.33 -55.02 38.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -49.95 -26.36 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.1 t -70.16 -43.47 70.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.91 -45.35 94.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.1 mt -58.61 -53.6 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.67 -29.57 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -63.67 -51.24 66.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 90' ' ' LEU . 2.8 mm? -71.7 -46.95 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 59.6 mtp -43.61 -50.02 7.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 t -77.11 -19.6 56.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t -71.5 -50.32 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.3 m -123.09 -179.49 4.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.1 m -96.41 158.27 15.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -60.34 -23.37 64.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.4 pt-20 -86.64 -41.45 14.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 19.6 m-20 -47.28 -38.23 12.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.408 ' HA ' ' HD2' ' A' ' 100' ' ' PRO . 9.5 m0 -55.02 110.32 2.12 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.572 0.701 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 99' ' ' TRP . 53.4 Cg_endo -69.77 138.23 37.32 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.677 2.252 . . . . 0.0 112.346 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.417 ' HB3' ' CD ' ' A' ' 116' ' ' GLU . 42.3 m -67.87 135.36 52.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.5 m -144.02 148.71 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -96.74 120.88 37.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 46.3 ttm -90.39 131.31 36.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -103.64 136.82 42.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' ' 106' ' ' VAL . 15.2 t -131.45 51.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.781 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -104.35 151.53 23.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 t70 49.28 35.82 8.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.553 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 56.09 29.89 15.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.6 m -117.7 133.77 55.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.185 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.0 t -102.09 112.64 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.833 ' CG2' HG23 ' A' ' 122' ' ' VAL . 17.6 m -129.28 114.11 15.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.5 t -78.02 95.27 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 9.9 mm -84.16 147.91 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -79.88 159.86 26.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' CD ' ' HB3' ' A' ' 101' ' ' SER . 7.8 mt-10 -78.5 -51.88 9.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -65.7 -34.17 77.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -124.27 136.44 54.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -93.61 -34.13 13.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -93.49 32.59 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 122' ' ' VAL . 19.7 tp10 -93.78 -27.3 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.833 HG23 ' CG2' ' A' ' 112' ' ' THR . 7.6 p 33.95 51.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 122' ' ' VAL . 7.8 mt -35.05 -55.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 84.1 t -130.44 132.88 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -123.04 108.97 13.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.3 t -128.63 155.53 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -119.84 162.28 19.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 109' ' ' ALA . 14.0 m -66.04 -20.63 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.12 -29.11 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -86.29 -27.02 24.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.617 HD13 ' HE1' ' A' ' 134' ' ' MET . 2.4 tt -57.19 139.65 52.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.57 ' N ' HD23 ' A' ' 131' ' ' LEU . 4.0 t -109.74 -56.82 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.731 ' HB2' HG12 ' A' ' 78' ' ' VAL . 43.9 t80 -136.85 158.74 43.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.617 ' HE1' HD13 ' A' ' 131' ' ' LEU . 8.3 ptp -159.0 129.37 5.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -162.54 179.95 37.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 76.3 t -114.92 145.07 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.81 -160.94 24.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -55.67 -38.77 70.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.791 0.329 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -92.81 151.78 19.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.62 HG11 ' OE2' ' A' ' 15' ' ' GLU . 30.4 m -84.73 6.34 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 17.2 m-70 -113.7 15.5 18.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.503 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 1.3 p -125.59 108.58 11.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -125.22 129.62 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -134.73 155.28 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 8.8 p90 -140.96 134.07 29.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 22.1 mt -99.97 120.91 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.8 ptm -106.03 168.9 8.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.0 108.12 18.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 44.4 p -86.29 -37.25 18.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.96 171.73 12.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 22.5 t30 53.22 35.92 21.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 59.89 33.46 21.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 22.3 mmt-85 -98.59 143.97 28.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -132.23 119.58 21.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -106.59 115.74 30.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 8.4 t -96.48 108.38 20.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -103.21 132.49 49.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 18.5 t -107.69 144.44 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -144.3 124.78 13.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.561 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 15.9 t-105 -77.73 123.65 26.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 30.0 m -115.09 144.36 43.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 31.7 mm-40 -140.5 154.01 68.94 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.626 0.727 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.5 Cg_endo -69.7 -2.23 6.96 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.332 -0.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.459 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 22.8 p-10 -170.39 161.19 7.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -85.75 25.19 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.482 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -75.43 -44.26 45.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -70.46 -50.15 41.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 78.3 t -55.54 -63.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.2 m -44.87 -49.81 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -55.48 -59.26 5.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -47.07 -41.25 16.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.67 -51.64 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -46.27 -43.51 15.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.67 76.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -48.93 -51.35 30.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 31.0 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.925 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -130.19 150.06 51.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.894 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 t -84.16 95.82 8.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.61 84.11 0.97 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -89.31 145.54 25.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.803 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -114.59 92.07 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.86 -53.26 10.48 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -73.88 165.81 24.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.75 93.6 5.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.085 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.66 106.03 3.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.583 HG13 ' CD ' ' A' ' 15' ' ' GLU . 11.6 t -82.48 149.23 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.401 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -104.6 154.57 38.37 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.596 0.712 . . . . 0.0 111.161 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -21.77 33.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.274 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -74.89 -26.32 59.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.583 ' CD ' HG13 ' A' ' 11' ' ' VAL . 4.4 pt-20 -93.55 -32.09 14.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 22.7 mtp85 -62.15 -28.87 69.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -89.48 -41.29 12.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 mt -65.31 -39.92 93.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 m -53.81 -57.66 10.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 21' ' ' MET . 3.1 ptmm? -54.46 -39.88 67.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.468 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 69.5 mmm -68.39 -27.38 66.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -87.78 -20.3 26.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -92.11 -61.4 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -95.79 -68.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.65 -157.47 18.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -146.07 111.49 5.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -99.39 114.65 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 59.0 t-20 -60.75 123.99 77.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -45.61 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.371 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 m -49.89 -55.41 14.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.447 ' CE2' ' HB2' ' A' ' 132' ' ' SER . 29.4 t80 -42.85 -55.96 3.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.91 -46.7 52.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -82.41 156.87 23.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.602 ' O ' ' CD2' ' A' ' 34' ' ' PHE . 83.8 t80 63.07 34.02 14.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -104.29 -18.83 14.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -98.44 53.36 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 16.5 mmt -123.0 139.96 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -94.69 136.13 35.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -96.06 -48.93 5.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.2 m -49.83 108.03 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.57 -147.65 16.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.3 m -46.1 108.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.2 t -39.11 152.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.08 92.75 2.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.555 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 m -117.21 107.2 14.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.2 p -103.58 -53.14 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.6 56.49 0.16 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 99.1 p -104.2 102.94 12.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.8 m -110.09 140.25 44.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.39 146.21 12.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.523 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.1 t -144.85 158.22 43.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.935 0.397 . . . . 0.0 110.82 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.6 p -54.04 -46.27 71.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.37 -157.78 22.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.544 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 140.01 41.78 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.754 2.303 . . . . 0.0 112.354 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.7 p -60.12 142.81 89.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 145.81 58.35 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.372 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 58' ' ' THR . 19.3 tptm -87.31 152.2 22.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.45 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 8.0 t -169.83 151.32 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' HG12 ' A' ' 61' ' ' VAL . 11.7 pt-20 -91.05 -47.05 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.583 ' C ' HD23 ' A' ' 60' ' ' LEU . 7.7 tt -55.57 119.19 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.754 HG23 ' HB2' ' A' ' 107' ' ' ALA . 7.1 p -169.98 126.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -101.72 136.86 40.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -119.66 113.81 21.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -108.34 129.12 55.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -80.81 103.52 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.0 m -130.89 165.37 31.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -101.89 163.73 12.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -110.59 129.85 55.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.493 HD23 ' HB3' ' A' ' 90' ' ' LEU . 3.7 mp -99.1 -44.52 6.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 135.0 168.19 11.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.503 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 13.3 tmm? -87.72 139.02 30.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.625 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -129.18 125.65 22.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.713 . . . . 0.0 110.923 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.625 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.8 123.6 10.24 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.729 2.286 . . . . 0.0 112.326 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.463 ' CG1' HG22 ' A' ' 82' ' ' THR . 2.3 m -106.92 161.56 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -93.51 -26.77 17.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -125.65 144.1 47.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -24.54 29.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.469 HG12 ' HB2' ' A' ' 133' ' ' PHE . 25.4 m -137.63 164.06 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 120.63 118.1 2.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.0 mmt -50.48 -57.67 7.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -40.61 -43.73 1.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.463 HG22 ' CG1' ' A' ' 74' ' ' VAL . 7.0 m -63.4 -47.87 80.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.59 -53.05 62.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -57.72 -25.48 60.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.6 t -66.5 -37.51 85.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.34 -50.91 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 58.7 mt -46.33 -58.17 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.24 -39.6 79.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -56.51 -52.32 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.493 ' HB3' HD23 ' A' ' 69' ' ' LEU . 1.8 mm? -67.96 -44.32 77.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 85.3 mtp -52.08 -33.81 41.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.8 p -81.97 -39.38 23.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.6 t -62.68 -51.28 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -119.49 156.98 29.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -90.35 159.66 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.558 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 31.0 tttt -48.27 -32.08 6.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -82.7 -42.56 17.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -48.3 -31.4 5.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.558 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 3.2 m0 -69.6 118.73 65.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 110.937 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 163.81 36.89 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -91.16 137.42 32.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.8 m -144.8 158.53 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -106.27 120.53 42.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 48.1 ttm -90.72 128.45 36.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -106.43 137.33 44.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 t -127.75 52.97 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.754 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -99.8 148.52 24.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.073 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.3 t0 45.25 47.46 10.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 45.17 36.1 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.712 HG23 ' HD2' ' A' ' 127' ' ' ARG . 76.6 m -122.79 143.43 49.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.9 t -106.52 116.69 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.702 ' CG2' HG13 ' A' ' 122' ' ' VAL . 3.8 m -129.75 98.93 4.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.831 HG12 HD12 ' A' ' 123' ' ' LEU . 76.0 t -68.87 90.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 115' ' ' SER . 20.8 mm -77.51 153.3 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.409 ' N ' HG22 ' A' ' 114' ' ' ILE . 1.5 t -89.45 124.46 34.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.53 -43.41 62.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -53.38 -46.29 69.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -133.31 122.16 23.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.66 -31.35 72.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -89.76 37.55 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -129.24 98.96 5.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.702 HG13 ' CG2' ' A' ' 112' ' ' THR . 97.4 t -85.24 102.76 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.831 HD12 HG12 ' A' ' 113' ' ' VAL . 8.4 mt -70.86 -48.28 54.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 69.1 t -136.89 131.49 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -116.93 99.16 6.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.6 t -122.65 151.94 41.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.712 ' HD2' HG23 ' A' ' 110' ' ' THR . 10.4 mmm-85 -122.04 135.78 54.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.487 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 15.8 m -40.16 -25.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 127' ' ' ARG . 36.9 mmt180 -62.15 -48.23 81.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -73.32 -36.57 66.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.573 HD21 ' HB3' ' A' ' 134' ' ' MET . 1.7 tt -44.69 118.57 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.447 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 11.5 t -91.49 -65.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.469 ' HB2' HG12 ' A' ' 78' ' ' VAL . 26.3 t80 -126.68 153.07 45.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.573 ' HB3' HD21 ' A' ' 131' ' ' LEU . 4.2 ptp -158.15 129.18 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -160.28 -170.68 25.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.53 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.4 t -118.17 140.17 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -77.25 -161.91 15.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -56.05 -39.73 72.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.94 152.21 20.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 35.4 m -82.95 -3.2 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.53 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 12.2 m80 -106.77 14.47 26.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 21.6 p -121.77 107.61 12.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -124.5 128.75 49.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.432 ' HB2' HG22 ' A' ' 158' ' ' VAL . . . -133.04 151.23 52.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 9.4 p90 -138.26 134.87 34.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 21.4 mt -99.82 127.63 52.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 6.8 ptm -118.3 165.75 13.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -101.56 120.62 40.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 67.4 p -98.97 -39.81 8.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.61 -138.13 3.88 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -73.24 -67.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -117.64 20.86 13.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -89.33 123.65 33.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -122.84 125.89 46.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -115.46 118.47 33.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.9 t -98.46 113.06 24.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' HIS . . . . . 0.487 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 89.0 m-70 -102.43 128.92 48.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.432 HG22 ' HB2' ' A' ' 144' ' ' ALA . 22.1 t -106.23 140.49 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 0.487 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 17.0 m-85 -140.54 138.38 34.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.53 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 21.8 t-105 -91.23 123.82 34.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 7.9 m -113.94 155.16 26.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.539 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 60.5 mt-10 -148.65 152.34 37.64 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.692 0.758 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.75 0.04 5.93 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.35 -0.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.487 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 42.7 p30 -169.89 173.23 6.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -96.51 27.05 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -78.08 -41.34 35.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -74.25 -44.98 50.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.82 -72.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.3 t -41.6 -41.61 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -64.28 -47.71 78.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.04 94.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.86 -44.02 92.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -61.9 -58.32 8.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -51.89 -34.44 41.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.24 75.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 82.3 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t 67.68 42.91 1.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 p -159.22 149.9 19.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.28 -52.18 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.4 m -50.25 -61.87 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.908 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 t -157.73 163.63 37.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.7 -153.3 16.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.4 133.24 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 38.52 51.87 1.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.41 90.79 3.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.2 t -77.93 146.57 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.591 HG23 ' HG2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -86.52 144.04 37.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.574 0.702 . . . . 0.0 111.134 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -10.41 28.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.297 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.48 ' HG3' ' CB ' ' A' ' 166' ' ' ALA . 5.1 tp10 -76.69 -45.4 29.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.591 ' HG2' HG23 ' A' ' 12' ' ' THR . 4.4 mm-40 -67.98 -40.61 83.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' GLU . 37.8 mmm-85 -37.38 -45.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -78.33 -55.41 5.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.946 HD11 ' HB2' ' A' ' 166' ' ' ALA . 18.5 mt -45.74 -25.48 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.8 m -64.07 -61.17 2.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 21' ' ' MET . 34.0 pttt -55.04 -29.46 57.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.422 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 96.2 mmm -72.96 -39.46 66.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -72.97 -27.9 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -79.55 -57.8 3.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -106.63 -60.14 1.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.13 -138.05 14.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -149.36 114.01 5.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.819 0.343 . . . . 0.0 110.951 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -101.97 110.58 22.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 47.9 t-20 -62.26 123.72 79.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.645 0.736 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.5 2.05 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.9 m -47.57 -48.74 27.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -58.14 -60.0 4.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -52.12 -59.12 4.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -59.72 171.3 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -122.54 -57.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -45.78 -45.23 14.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -53.59 -32.88 52.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 45.3 mtp -85.58 45.58 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -77.28 152.27 34.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -88.25 173.87 8.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.2 m -104.05 80.58 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -162.1 154.02 24.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.4 m -102.56 150.48 23.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.5 t -43.92 -43.73 6.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.07 175.58 29.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.511 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.5 t -119.25 124.48 46.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.86 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -76.29 2.28 13.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.79 -167.87 14.52 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -45.88 119.47 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.358 . . . . 0.0 110.898 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.0 t -154.02 132.13 11.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.23 65.98 3.99 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.4 t -101.11 124.11 46.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 0.0 110.879 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -167.06 159.55 13.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -179.75 69.95 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 55' ' ' THR . 53.4 Cg_endo -69.76 151.22 69.04 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.649 2.233 . . . . 0.0 112.335 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 54' ' ' PRO . 36.0 p -35.09 138.5 0.36 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.565 0.698 . . . . 0.0 111.204 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 139.03 39.34 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -88.31 146.58 25.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.952 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.3 m -152.33 139.72 19.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -76.03 -43.85 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.2 tp -47.14 133.99 11.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.848 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.8 p -155.4 132.75 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -105.87 119.43 39.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.45 151.5 49.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -142.93 150.97 40.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -87.49 121.44 29.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 161' ' ' CYS . 35.0 m -141.44 163.55 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -101.13 151.08 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -97.51 131.47 44.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.494 HD13 HG12 ' A' ' 158' ' ' VAL . 3.5 mp -100.94 -40.7 7.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.22 162.63 10.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.601 ' CG ' ' CE1' ' A' ' 157' ' ' HIS . 7.2 tmm? -81.46 150.44 28.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.663 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -141.72 126.58 10.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.572 0.701 . . . . 0.0 110.903 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.663 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.5 Cg_endo -69.78 134.99 29.27 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.9 m -122.07 178.36 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -110.83 -25.88 9.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -129.68 145.55 57.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 -28.16 25.63 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.323 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.65 HG12 ' HB2' ' A' ' 133' ' ' PHE . 11.6 m -128.41 175.64 9.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.22 107.84 3.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 mmt -45.4 -46.88 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -50.08 -49.7 50.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.7 m -56.99 -36.79 70.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 tp -67.49 -58.3 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -49.7 -27.48 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.8 t -66.39 -45.78 78.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.59 -55.55 22.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.435 ' CG2' HG21 ' A' ' 142' ' ' THR . 42.9 mt -46.86 -53.49 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -63.08 -35.57 80.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -60.23 -53.51 56.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 93' ' ' SER . 3.4 mm? -66.57 -54.65 21.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 89.5 mtp -41.83 -38.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.9 p -78.76 -27.99 44.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 90' ' ' LEU . 6.9 t -73.97 -49.18 25.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.3 m -121.83 156.24 33.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.8 m -87.2 172.58 9.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.513 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 57.6 tttt -59.37 -34.74 72.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.85 -40.43 28.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -49.94 -33.27 17.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.513 ' CE3' ' HA ' ' A' ' 96' ' ' LYS . 5.5 m0 -67.97 113.93 17.64 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 164.06 35.93 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.704 2.269 . . . . 0.0 112.37 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.2 m -91.68 139.13 30.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.3 m -146.01 155.19 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -101.26 128.81 47.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 58.7 ttm -100.38 140.44 34.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -115.57 132.79 56.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 106' ' ' VAL . 36.2 t -122.3 42.52 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.848 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -91.91 151.91 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.084 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.8 t70 46.27 38.31 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.492 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 51.17 34.71 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.42 HG23 ' HG3' ' A' ' 127' ' ' ARG . 87.5 m -123.57 141.39 52.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.9 t -101.54 113.78 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.442 ' CG2' HG13 ' A' ' 122' ' ' VAL . 6.6 m -125.17 101.82 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.573 HG12 HD12 ' A' ' 123' ' ' LEU . 93.2 t -70.01 94.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 115' ' ' SER . 8.6 mm -84.53 157.37 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.441 ' N ' HG22 ' A' ' 114' ' ' ILE . 4.9 t -90.48 155.36 18.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -79.69 -44.44 20.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -35.66 75.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -138.55 128.88 25.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.408 ' O ' ' CG2' ' A' ' 114' ' ' ILE . 35.4 tt0 -72.13 -40.5 68.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.413 ' H ' ' CD ' ' A' ' 120' ' ' GLU . 0.9 OUTLIER -82.33 39.93 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -127.53 85.52 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.442 HG13 ' CG2' ' A' ' 112' ' ' THR . 77.2 t -75.26 94.07 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.573 HD12 HG12 ' A' ' 113' ' ' VAL . 7.4 mt -61.36 -44.49 97.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 77.1 t -142.24 122.43 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -104.16 106.03 16.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.454 ' HG ' ' CB ' ' A' ' 147' ' ' MET . 3.6 t -134.59 158.03 45.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.549 ' NH1' ' CE1' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -128.88 -179.12 4.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.832 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 16.4 m -82.15 -21.67 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -49.66 47.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.549 ' CE1' ' NH1' ' A' ' 127' ' ' ARG . 23.7 m-85 -72.0 -26.02 62.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 132' ' ' SER . 2.4 tt -56.26 132.54 50.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.469 ' N ' HD23 ' A' ' 131' ' ' LEU . 88.9 p -97.77 -65.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.65 ' HB2' HG12 ' A' ' 78' ' ' VAL . 47.8 t80 -130.49 151.47 50.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 3.9 ptp -153.51 111.31 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -143.08 -177.75 18.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.9 t -110.19 146.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -85.95 -161.64 35.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -53.3 -35.3 59.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.331 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.05 161.36 13.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.1 m -92.92 -3.36 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.463 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 13.2 m80 -102.84 7.34 39.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.435 HG21 ' CG2' ' A' ' 87' ' ' ILE . 1.2 p -117.95 107.07 13.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -121.12 129.21 53.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -134.69 156.99 47.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 11.5 p90 -147.09 136.63 22.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' A' ' 154' ' ' PHE . 3.6 mp -95.72 117.69 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.454 ' CB ' ' HG ' ' A' ' 126' ' ' CYS . 6.3 ptm -110.65 155.57 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -97.59 112.85 24.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 40.9 p -95.03 -37.09 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -122.22 -140.72 5.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.469 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -71.82 -69.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.526 ' O ' ' CE1' ' A' ' 154' ' ' PHE . 10.1 mm100 -119.21 11.9 12.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.55 131.09 38.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.526 ' CE1' ' O ' ' A' ' 152' ' ' GLN . 1.6 m-85 -123.62 118.81 28.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.464 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 3.1 mp0 -105.47 119.43 39.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.3 112.67 24.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' HIS . . . . . 0.601 ' CE1' ' CG ' ' A' ' 71' ' ' MET . 85.2 m-70 -108.6 131.27 55.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.494 HG12 HD13 ' A' ' 69' ' ' LEU . 47.5 t -105.72 140.77 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 22.2 m-85 -140.07 128.41 22.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.463 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 22.1 t-105 -82.01 122.84 28.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.449 ' HA ' HG12 ' A' ' 66' ' ' VAL . 71.5 m -110.81 148.39 32.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.538 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 5.1 mm-40 -142.54 151.78 58.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.8 Cg_endo -69.72 0.23 5.81 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.34 -0.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.488 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 29.1 p30 -173.25 169.01 4.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -88.93 8.95 26.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.946 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -61.07 -43.45 98.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -72.99 -64.21 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 169' ' ' SER . 81.0 t -44.67 -60.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 168' ' ' VAL . 96.3 p -37.94 -49.27 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -66.81 -45.18 79.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.26 -31.69 33.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 24.5 t -83.15 -45.13 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -56.3 -62.88 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.17 -47.38 35.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.492 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -44.31 -37.5 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 60.1 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 t -56.59 92.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m -88.59 174.32 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.34 94.95 1.86 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 p -55.67 128.62 35.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -88.03 -46.37 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.46 83.86 0.5 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.23 154.65 19.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.94 91.96 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.95 106.5 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.524 HG23 ' CD ' ' A' ' 15' ' ' GLU . 1.5 p -123.36 151.66 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -98.5 149.09 35.39 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.612 0.72 . . . . 0.0 111.121 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -7.11 20.25 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -96.21 -35.97 11.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.524 ' CD ' HG23 ' A' ' 11' ' ' VAL . 5.2 pt-20 -72.99 -22.89 60.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -56.27 -42.8 78.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -78.18 -49.49 13.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 mt -46.42 -36.45 6.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.9 m -45.04 -59.1 2.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -41.1 68.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 54.0 mmm -60.57 -40.43 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -78.53 -21.81 48.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -81.73 -68.54 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.85 -65.99 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.37 -166.66 16.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.547 ' CD2' ' HB2' ' A' ' 173' ' ' GLN . 4.0 t80 -132.45 112.31 12.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.881 0.372 . . . . 0.0 110.913 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -96.27 121.1 37.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 50.4 t-20 -60.6 122.28 66.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.71 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HA ' ' HG2' ' A' ' 32' ' ' LYS . 53.9 Cg_endo -69.79 -50.93 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.631 2.221 . . . . 0.0 112.368 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m -45.2 -39.62 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -67.6 -70.54 0.25 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -43.96 -44.2 7.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.434 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 9.2 m-85 -57.55 141.98 46.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -75.6 61.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -75.98 61.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 37' ' ' MET . 38.0 tt0 63.12 35.77 12.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.47 ' CE ' ' HB2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER 34.5 35.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' GLN . 8.4 tt0 -108.87 76.41 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -93.49 38.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 76.8 p -162.43 166.53 24.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.56 -156.52 21.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -134.23 135.42 42.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.826 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.3 t -53.19 112.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.82 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.98 39.72 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 m -80.21 83.81 6.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 m -78.96 84.9 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -36.99 -43.78 0.91 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.5 p -92.67 147.67 22.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.857 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.7 t -81.55 145.87 30.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.55 -148.32 19.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.9 t -80.67 103.9 10.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.936 0.398 . . . . 0.0 110.846 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -77.26 -50.16 13.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.52 169.32 32.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' THR . 53.6 Cg_endo -69.75 96.64 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' PRO . 41.6 p -37.49 147.43 0.23 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.622 0.725 . . . . 0.0 111.125 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 112.8 3.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.375 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -104.19 147.33 27.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.7 t -141.88 131.26 23.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 60' ' ' LEU . 40.0 mt-10 -89.66 -43.24 10.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' GLU . 20.0 tp -36.63 134.12 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.418 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.4 p -158.06 143.36 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -117.7 135.78 53.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -114.43 126.03 54.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -117.88 129.84 55.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -83.83 106.4 15.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.824 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.7 m -133.95 172.73 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -111.68 154.22 25.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -100.27 132.32 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mp -102.89 -44.91 5.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.16 173.29 12.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.485 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.476 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 9.4 tmm? -95.95 143.15 27.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.761 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -131.22 129.87 22.51 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.654 0.74 . . . . 0.0 110.918 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.761 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.75 133.1 24.77 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.326 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.7 m -124.35 157.72 31.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -91.2 -28.44 17.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 mmm-85 -124.97 143.19 43.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -27.17 27.08 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.712 2.275 . . . . 0.0 112.359 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.912 HG12 ' HB2' ' A' ' 133' ' ' PHE . 16.2 m -130.36 170.49 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.17 119.0 2.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.0 mmt -52.22 -63.31 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -41.99 -43.0 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.2 m -60.47 -46.85 88.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.45 -58.11 9.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -46.97 -23.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.9 t -69.26 -40.45 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.26 -54.67 18.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.1 mt -47.26 -58.18 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -58.49 -42.83 88.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -50.31 -61.31 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 93' ' ' SER . 4.3 mm? -62.08 -52.8 62.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 48.8 mtp -40.13 -39.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 35.8 p -82.09 -31.23 30.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 90' ' ' LEU . 28.2 t -63.51 -53.87 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.3 m -122.22 164.26 18.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.492 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 1.1 t -81.66 175.29 10.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.479 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 53.5 tttm -69.52 -30.8 68.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -81.21 -42.26 21.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.22 -36.23 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.492 ' NE1' ' O ' ' A' ' 95' ' ' SER . 7.1 m0 -60.5 114.64 10.66 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.595 0.712 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 155.58 65.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.724 2.283 . . . . 0.0 112.369 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -82.99 142.17 31.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 35.9 m -151.54 145.63 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -94.12 123.62 37.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.449 ' SD ' HG22 ' A' ' 113' ' ' VAL . 18.7 tpp -94.88 133.15 38.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -108.79 137.99 45.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.737 HG12 ' O ' ' A' ' 106' ' ' VAL . 63.7 t -126.8 47.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.418 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -92.74 150.91 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t0 44.68 45.21 7.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 46.8 35.56 3.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.594 HG23 ' HD2' ' A' ' 127' ' ' ARG . 97.6 m -122.0 140.76 52.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.4 t -101.85 117.0 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.722 ' CG2' HG13 ' A' ' 122' ' ' VAL . 6.9 m -130.24 110.21 11.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.611 HG12 HD12 ' A' ' 123' ' ' LEU . 97.4 t -74.55 90.37 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 115' ' ' SER . 31.2 mm -78.84 155.69 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.448 ' N ' HG22 ' A' ' 114' ' ' ILE . 75.6 p -78.39 168.84 19.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -87.47 -63.27 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -53.49 -43.62 68.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -110.12 164.68 12.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -110.51 -40.94 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -83.17 38.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -120.98 87.72 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.722 HG13 ' CG2' ' A' ' 112' ' ' THR . 94.2 t -76.99 91.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.611 HD12 HG12 ' A' ' 113' ' ' VAL . 8.3 mt -62.69 -49.28 75.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 69.8 t -136.69 119.82 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -106.93 111.98 24.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.4 t -139.45 146.93 40.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.594 ' HD2' HG23 ' A' ' 110' ' ' THR . 8.4 mpt_? -114.78 149.15 37.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.436 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.8 m -48.79 -25.65 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -64.89 -46.62 80.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -67.18 -40.01 86.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.616 HD23 ' N ' ' A' ' 132' ' ' SER . 2.2 tt -39.85 136.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.616 ' N ' HD23 ' A' ' 131' ' ' LEU . 77.9 p -109.61 -52.66 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.912 ' HB2' HG12 ' A' ' 78' ' ' VAL . 28.1 t80 -147.63 145.96 29.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 134' ' ' MET . 0.0 OUTLIER -135.35 138.92 43.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -160.34 170.94 36.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 142' ' ' THR . 99.3 t -120.82 143.65 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 111.129 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -82.15 -176.64 51.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -48.2 -40.54 24.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -92.17 128.2 37.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 165' ' ' ALA . 35.1 m -62.25 -12.65 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 8.7 m80 -89.66 15.89 8.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.47 ' O ' HG13 ' A' ' 136' ' ' VAL . 80.6 p -125.5 121.35 33.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.501 ' CZ ' HG21 ' A' ' 172' ' ' VAL . 54.8 t80 -134.01 128.26 33.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -134.66 148.94 50.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 6.3 p90 -146.02 133.4 20.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 56.0 mt -95.49 135.84 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 5.8 ptm -124.46 159.87 29.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.5 114.58 26.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 63.5 p -93.41 -42.89 9.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.2 -127.66 2.93 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -91.72 -63.76 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.757 0.313 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -114.88 20.99 14.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -99.71 126.73 45.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -125.34 125.06 42.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -112.53 118.72 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.8 t -101.69 112.8 25.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -102.77 131.43 49.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.92 148.57 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -146.11 139.43 25.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.578 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 50.1 t-105 -93.85 121.93 35.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 3.3 m -108.94 161.51 15.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.547 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 26.9 mt-10 -160.99 152.22 15.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.3 Cg_endo -69.79 -0.31 6.15 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.355 0.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.475 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 53.1 p-10 -166.1 162.28 17.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 140' ' ' VAL . . . -92.35 30.34 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -79.15 -47.41 16.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -66.77 -44.78 80.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 170' ' ' GLU . 96.9 t -67.4 -73.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 168' ' ' VAL . 17.8 p -34.63 -34.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 168' ' ' VAL . 5.9 tp10 -78.33 -52.65 8.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -55.69 -13.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.501 HG21 ' CZ ' ' A' ' 143' ' ' PHE . 57.7 t -87.76 -66.15 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' GLN . . . . . 0.547 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . 15.4 pt20 -54.1 -50.22 67.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' A' ' 173' ' ' GLN . . . -48.67 -40.93 29.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.91 86.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 74.8 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -150.31 178.21 9.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -65.8 153.23 42.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.0 128.28 2.56 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -108.77 147.85 31.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 0.0 110.912 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 p -175.03 137.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.44 -70.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -42.45 151.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.51 79.38 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.4 92.66 3.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -140.06 141.55 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.32 154.89 37.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.727 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.2 18.03 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -96.09 -24.01 16.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' ARG . 57.8 mt-10 -75.29 -46.4 33.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' GLU . 46.9 mtp85 -35.94 -49.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -66.63 -47.56 72.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.408 HD11 HD21 ' A' ' 164' ' ' ASN . 87.4 mt -55.23 -39.25 69.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 m -41.71 -66.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -41.13 -38.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.2 mtp -71.14 -45.12 64.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -63.12 -32.47 73.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -84.03 -60.79 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -94.52 -58.63 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.21 -144.09 15.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 173' ' ' GLN . 3.5 t80 -153.55 107.8 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.35 . . . . 0.0 110.927 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.561 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 9.4 mp0 -102.85 136.08 43.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -91.16 107.56 22.13 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -30.68 21.94 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.274 . . . . 0.0 112.332 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' TYR . 60.6 m -59.91 -46.07 90.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' A' ' 30' ' ' THR . 53.3 t80 -35.67 -39.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -69.35 -49.59 54.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 30' ' ' THR . 83.6 m-85 -70.36 -15.72 62.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -92.22 -40.16 11.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -53.48 -47.06 70.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -157.95 130.65 7.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.13 178.18 1.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -130.94 -44.8 1.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -57.38 -51.5 69.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 m -88.17 170.58 10.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.95 -83.59 0.25 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.6 t -96.21 -45.22 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.2 p -63.0 98.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.3 -34.86 0.83 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 t -64.58 -57.38 9.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.6 m 59.08 29.97 19.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.04 -103.34 1.67 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.2 p -73.43 92.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 t -88.97 119.37 29.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.58 151.92 20.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.9 t -153.03 109.71 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.3 t -65.64 91.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.17 -148.05 21.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.65 19.72 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.639 2.226 . . . . 0.0 112.382 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.6 p -72.52 142.74 84.33 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.587 0.708 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 123.79 10.45 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -66.35 143.29 57.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.4 m -153.35 124.48 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -81.83 -36.06 28.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.7 tp -84.36 133.47 34.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.95 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.7 p -160.43 130.13 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -103.15 120.0 39.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 145.29 51.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 6.4 m-85 -126.49 -179.09 4.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.7 ttp85 -118.86 104.98 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.3 m -129.43 177.2 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -114.77 153.64 29.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -97.38 133.09 42.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.563 HD13 HG12 ' A' ' 158' ' ' VAL . 2.5 mp -102.24 -41.62 6.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.88 173.71 13.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.459 ' HG2' ' N ' ' A' ' 72' ' ' LEU . 17.8 ttp -93.94 147.15 23.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.697 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -138.97 128.46 14.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.663 0.744 . . . . 0.0 110.905 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.697 ' HD2' HD13 ' A' ' 72' ' ' LEU . 54.2 Cg_endo -69.75 130.48 19.42 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.34 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.9 m -117.69 159.71 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.32 -30.14 18.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -130.87 145.11 56.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.447 ' HD3' ' CE2' ' A' ' 154' ' ' PHE . 53.2 Cg_endo -69.8 -17.74 37.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.826 HG12 ' HB2' ' A' ' 133' ' ' PHE . 15.7 m -136.21 166.3 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.98 113.92 2.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.4 mmt -47.08 -55.32 8.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.766 0.317 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -47.78 -43.6 27.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.5 m -58.24 -40.47 81.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tp -68.18 -61.32 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -43.48 -33.8 1.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.3 t -63.71 -44.78 92.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.31 -54.3 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 37.1 mt -49.07 -55.8 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -60.63 -37.73 82.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -56.06 -54.18 48.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.471 HD21 ' HB2' ' A' ' 72' ' ' LEU . 4.2 mm? -67.88 -53.38 27.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.473 ' SD ' ' CH2' ' A' ' 99' ' ' TRP . 76.6 mmm -42.23 -40.54 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.3 p -75.48 -30.4 59.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 90' ' ' LEU . 10.5 t -60.51 -55.09 37.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 m -125.56 -179.7 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.489 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 24.3 p -92.06 177.81 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.57 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 29.7 tttm -72.09 -27.26 62.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -87.59 -27.02 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.52 -22.43 66.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.57 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 6.9 m0 -72.12 122.21 86.74 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.572 0.701 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 154.72 67.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.8 p -83.4 128.44 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 27.5 m -140.82 153.37 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -105.51 132.58 51.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.7 ttm -103.33 128.14 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -99.54 141.4 32.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 t -131.55 48.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.95 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -96.81 153.33 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.9 t70 46.6 41.53 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 51.19 32.37 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.694 HG23 ' HD3' ' A' ' 127' ' ' ARG . 24.9 m -121.49 145.55 47.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 42.1 t -108.47 119.69 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.5 m -130.11 117.36 19.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 88.3 t -83.14 92.03 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 115' ' ' SER . 6.0 mm -84.78 160.67 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 114' ' ' ILE . 8.5 t -93.59 153.61 18.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -76.74 -24.56 52.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -69.11 -48.53 62.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -130.6 162.03 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -96.88 -18.12 19.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -101.78 31.43 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -116.26 79.94 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 122' ' ' VAL . 0.7 OUTLIER -75.83 92.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.05 -44.31 92.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.1 t -139.55 138.49 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.411 ' HG2' ' NH1' ' A' ' 127' ' ' ARG . 50.2 tt0 -126.35 102.66 7.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.501 ' HG ' ' CB ' ' A' ' 147' ' ' MET . 2.6 t -121.27 155.88 33.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.694 ' HD3' HG23 ' A' ' 110' ' ' THR . 4.0 mmt-85 -123.86 146.3 48.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.612 HG23 ' H ' ' A' ' 129' ' ' ARG . 6.9 m -50.24 -56.59 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.612 ' H ' HG23 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -46.64 -36.43 6.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.411 ' N ' ' HG2' ' A' ' 129' ' ' ARG . 12.0 m-85 -78.63 -24.88 45.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.611 HD21 ' HB3' ' A' ' 134' ' ' MET . 1.7 tt -54.54 124.51 16.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.6 p -90.32 -57.65 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.826 ' HB2' HG12 ' A' ' 78' ' ' VAL . 18.7 t80 -147.76 147.1 29.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.611 ' HB3' HD21 ' A' ' 131' ' ' LEU . 5.1 ptp -148.32 144.14 27.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -170.03 -176.57 39.76 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.524 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.1 t -116.49 139.79 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.85 -169.85 31.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -35.12 25.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -94.87 158.22 15.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.458 ' O ' ' HB3' ' A' ' 165' ' ' ALA . 32.8 m -84.87 -18.82 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 14.1 m80 -91.98 19.31 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.4 p -121.73 104.46 9.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -123.32 128.06 49.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -139.47 169.46 17.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.512 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 7.8 p90 -161.94 138.26 7.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.01 140.7 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' MET . . . . . 0.501 ' CB ' ' HG ' ' A' ' 126' ' ' CYS . 20.0 ptm -132.58 156.14 47.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -94.62 115.46 27.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 80.8 p -90.11 -44.45 9.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -117.42 -116.9 2.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -108.6 -62.94 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.938 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -110.35 15.2 22.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -103.73 133.19 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.447 ' CE2' ' HD3' ' A' ' 77' ' ' PRO . 1.5 m-85 -131.61 129.45 40.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -110.92 140.63 45.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 4.2 t -110.85 120.93 44.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -109.77 126.61 53.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.563 HG12 HD13 ' A' ' 69' ' ' LEU . 99.0 t -104.84 143.41 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -141.07 131.99 26.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.574 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 58.5 t-105 -87.98 127.5 35.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 3.4 m -115.77 155.6 27.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.548 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 47.7 mt-10 -154.23 153.08 27.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.7 Cg_endo -69.73 -3.23 7.53 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.353 -0.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.838 ' ND2' ' HB2' ' A' ' 166' ' ' ALA . 6.2 t30 -165.76 144.86 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.518 ' N ' ' OD1' ' A' ' 164' ' ' ASN . . . -79.81 42.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.838 ' HB2' ' ND2' ' A' ' 164' ' ' ASN . . . -87.07 -48.34 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -64.78 -42.82 94.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 63.4 t -63.81 -64.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 81.3 p -47.5 -30.16 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -76.58 -47.38 22.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -58.94 -40.83 85.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.461 ' O ' ' HB3' ' A' ' 175' ' ' ALA . 73.4 t -66.24 -37.21 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' GLN . . . . . 0.579 ' HG2' ' CD2' ' A' ' 26' ' ' TYR . 39.1 mt-30 -55.72 -63.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -51.54 -39.02 56.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 172' ' ' VAL . . . -45.47 -48.04 13.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.082 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.93 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -118.75 175.46 5.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.1 p -60.4 123.94 18.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.8 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.01 -179.21 16.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -149.06 146.09 27.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.884 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -101.05 -50.93 3.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.55 64.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -163.98 168.94 18.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.86 34.95 3.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.066 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.65 89.36 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 12' ' ' THR . 21.3 t -77.64 157.54 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.621 HG23 ' CD ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -101.14 153.93 37.47 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.575 0.702 . . . . 0.0 111.181 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -6.94 19.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.65 -22.09 17.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.621 ' CD ' HG23 ' A' ' 12' ' ' THR . 31.3 mt-10 -84.44 -50.53 7.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -50.56 -38.6 46.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -78.18 -57.82 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 166' ' ' ALA . 16.5 mt -55.39 -23.34 24.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -71.83 -50.71 27.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -62.83 -32.44 73.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.6 mmm -70.99 -30.86 67.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -83.01 -41.61 18.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -57.46 -62.09 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -117.5 -50.42 2.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.5 -158.59 14.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -134.99 103.24 5.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.912 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -89.5 108.74 19.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -54.11 122.36 35.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.596 0.712 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.04 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.321 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 34' ' ' PHE . 22.1 m -44.28 -45.41 8.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -39.9 -48.32 2.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -66.04 -62.18 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -56.76 -14.75 3.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 30' ' ' THR . 5.7 t80 -133.57 77.12 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -121.53 -47.86 2.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -133.76 88.59 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 16.3 mmt -118.65 127.48 53.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -150.14 160.38 43.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -82.98 117.85 23.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.5 t -134.87 141.39 46.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.42 -116.87 4.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -69.9 132.3 45.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.854 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t -131.88 88.2 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.87 176.95 36.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.441 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 m 46.39 41.71 9.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 m -65.85 92.95 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.48 85.02 0.27 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.6 t -97.79 127.03 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 0.0 110.858 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.2 p -164.0 154.48 15.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.04 79.96 1.41 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.4 m -110.85 175.25 5.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.6 p -114.41 149.8 35.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.71 76.08 0.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 101.85 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.5 p -100.31 137.68 20.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.557 0.694 . . . . 0.0 111.166 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 176.12 7.19 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 pttt -109.54 173.0 6.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.3 p -120.8 128.23 52.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -53.95 -31.38 50.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 tp -72.42 115.99 12.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.6 p -157.79 141.66 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -120.7 124.36 45.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.21 115.92 30.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -107.44 132.21 53.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -82.95 95.93 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 161' ' ' CYS . 31.5 m -125.72 162.48 28.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -102.46 154.23 19.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -98.61 130.11 45.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.532 HD22 ' CG1' ' A' ' 158' ' ' VAL . 4.5 mp -98.81 -41.69 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.66 164.09 11.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.2 ttp -82.77 145.38 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.609 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -137.78 127.4 15.15 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.607 0.717 . . . . 0.0 110.919 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.609 ' HD2' HD13 ' A' ' 72' ' ' LEU . 54.1 Cg_endo -69.72 126.21 13.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 m -108.68 -179.27 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -115.75 -18.15 10.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -138.64 146.56 51.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.643 0.735 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -25.82 28.44 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.75 HG12 ' HB2' ' A' ' 133' ' ' PHE . 20.0 m -134.96 166.64 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.57 113.22 2.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 83' ' ' LEU . 2.3 mmt -47.49 -56.98 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -39.61 -41.62 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.2 m -65.79 -38.95 90.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.503 HD21 ' O ' ' A' ' 135' ' ' GLY . 1.8 tp -69.43 -54.53 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -54.1 -22.69 11.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.4 t -74.95 -44.02 50.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.68 -50.28 63.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 58.5 mt -49.54 -51.91 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -65.16 -37.63 88.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -55.2 -48.33 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.499 ' CD2' HD23 ' A' ' 72' ' ' LEU . 3.0 mm? -74.98 -46.33 36.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 67.2 mtp -51.35 -27.49 9.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.4 p -84.05 -44.12 14.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.2 p -61.36 -50.58 72.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.2 m -116.48 161.08 19.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.467 ' O ' ' CE2' ' A' ' 99' ' ' TRP . 1.1 t -91.37 -179.0 5.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.817 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.473 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 65.4 tttt -66.84 -33.03 74.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -79.68 -44.17 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -45.21 -33.96 2.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.473 ' CE3' ' HA ' ' A' ' 96' ' ' LYS . 9.8 m0 -64.42 112.4 7.65 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 138.47 37.93 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.686 2.258 . . . . 0.0 112.383 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 t -67.03 141.14 57.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 33.0 m -149.62 148.82 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -96.92 116.74 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.483 ' SD ' HG22 ' A' ' 113' ' ' VAL . 22.4 tpp -88.07 130.3 35.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -105.46 140.05 39.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 106' ' ' VAL . 38.7 t -130.54 41.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.35 149.83 23.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.7 t70 46.19 43.92 11.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 49.16 34.81 6.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.5 m -121.84 137.58 54.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 38.8 t -101.78 120.48 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.547 ' CG2' HG13 ' A' ' 122' ' ' VAL . 2.6 m -133.03 113.76 13.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.183 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.483 HG22 ' SD ' ' A' ' 104' ' ' MET . 91.3 t -79.83 85.39 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.475 ' CD1' HG22 ' A' ' 122' ' ' VAL . 10.0 mm -77.23 145.92 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -79.56 136.45 36.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.08 -34.61 78.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -69.14 -38.39 78.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -133.65 121.23 21.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -67.18 -41.42 85.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -83.84 41.05 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -133.51 88.21 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.592 HG11 ' HB2' ' A' ' 125' ' ' GLU . 54.0 t -79.12 101.02 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.438 HD12 HG12 ' A' ' 113' ' ' VAL . 19.4 mt -67.75 -43.57 79.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 47.7 t -143.74 114.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.592 ' HB2' HG11 ' A' ' 122' ' ' VAL . 35.2 tt0 -102.44 99.47 9.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.85 155.45 31.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 41.6 mtt85 -120.25 171.31 8.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 109' ' ' ALA . 19.1 m -77.18 -34.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.47 ' CD ' ' H ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -64.95 -26.48 68.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -91.26 -26.37 19.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 134' ' ' MET . 1.5 tt -58.69 136.88 57.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.3 t -103.74 -69.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.75 ' HB2' HG12 ' A' ' 78' ' ' VAL . 43.1 t80 -126.16 154.09 43.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.522 ' HB3' HD21 ' A' ' 131' ' ' LEU . 5.8 ptp -160.12 122.22 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.503 ' O ' HD21 ' A' ' 83' ' ' LEU . . . -150.66 175.32 29.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.9 t -103.4 129.01 55.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.43 -160.75 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.455 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -55.34 -45.64 76.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -89.34 164.33 14.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.1 m -93.45 11.32 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.547 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 10.4 m80 -117.58 19.1 14.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.4 p -131.22 105.28 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -116.73 129.31 56.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -137.0 155.18 50.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.526 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 5.1 p90 -148.81 140.58 23.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.7 mp -98.19 127.33 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 8.5 ptm -112.66 161.24 17.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -103.71 105.31 15.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.502 HG21 ' OE2' ' A' ' 155' ' ' GLU . 48.4 p -83.81 -44.26 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.147 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 146.64 158.05 7.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 21.5 t30 66.09 34.44 6.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 61.77 27.72 16.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -95.22 137.57 34.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -124.3 117.29 24.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.502 ' OE2' HG21 ' A' ' 149' ' ' THR . 88.9 mt-10 -105.56 118.15 35.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.1 t -96.7 115.26 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' HIS . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 159' ' ' PHE . 90.9 m-70 -106.44 126.33 52.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.532 ' CG1' HD22 ' A' ' 69' ' ' LEU . 21.6 t -103.43 138.94 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 157' ' ' HIS . 27.5 m-85 -139.6 136.84 34.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.547 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 31.7 t-105 -87.74 126.14 34.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.564 ' SG ' HG21 ' A' ' 168' ' ' VAL . 78.6 m -109.44 158.14 18.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.543 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 72.4 mt-10 -155.54 149.51 19.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.639 0.733 . . . . 0.0 110.866 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.1 Cg_endo -69.74 0.99 5.49 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.312 -0.009 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.483 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 33.4 p-10 -167.32 173.19 9.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.411 ' C ' HD21 ' A' ' 18' ' ' LEU . . . -96.83 31.45 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.558 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -86.49 -48.24 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -68.96 -47.58 65.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.564 HG21 ' SG ' ' A' ' 161' ' ' CYS . 37.5 t -57.46 -64.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.8 m -43.75 -50.16 7.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -55.66 -51.77 66.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.58 -43.32 46.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 57.1 t -72.07 -41.67 67.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -60.16 -60.9 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.38 -41.16 28.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.455 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -53.36 -43.62 67.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 86.5 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.908 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t -141.35 139.87 33.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.828 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -76.29 -45.91 30.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.1 95.57 0.74 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -139.69 147.19 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 m -89.37 39.71 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.21 -133.58 1.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 21.4 t0 58.67 46.02 15.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.24 108.77 13.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.2 91.42 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.843 HG23 ' CD ' ' A' ' 15' ' ' GLU . 7.3 p -142.5 138.87 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -81.57 148.83 63.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.53 0.681 . . . . 0.0 111.13 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -9.43 26.09 Favored 'Trans proline' 0 C--N 1.34 0.112 0 C-N-CA 122.683 2.255 . . . . 0.0 112.314 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.544 ' OE1' ' HB1' ' A' ' 166' ' ' ALA . 3.4 mm-40 -95.7 -25.86 15.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.843 ' CD ' HG23 ' A' ' 11' ' ' VAL . 4.6 pt-20 -84.47 -26.79 27.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -50.12 -37.49 34.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -91.23 -57.74 2.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.422 HD13 ' HB ' ' A' ' 140' ' ' VAL . 39.3 mt -48.59 -28.0 3.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 m -57.43 -55.83 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -60.38 -36.65 78.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 44.2 mmm -64.11 -42.02 97.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -75.42 -27.5 59.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -71.47 -64.98 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.8 -51.48 2.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.08 -161.37 12.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -127.07 98.16 5.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.924 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -83.48 105.83 14.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -58.85 118.85 32.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -37.26 9.33 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.4 m -44.0 -56.05 4.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -45.38 -63.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -55.91 -61.77 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -47.15 148.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -126.35 -50.07 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.0 -24.66 1.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -81.07 -39.4 25.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 51.6 ttp -94.84 83.03 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -52.05 142.63 15.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -122.64 79.22 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.1 m -67.18 111.58 4.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.5 146.97 0.17 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.3 p -115.53 -46.87 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.7 m -85.59 149.16 25.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.52 43.89 77.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -39.78 -55.33 1.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.839 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.0 p -147.81 143.73 27.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.61 42.04 1.99 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.3 p -174.08 155.85 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' GLY . 16.7 m -99.04 -43.82 6.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' SER . . . 35.94 -141.98 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.547 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.0 m -146.62 138.82 24.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.3 m -136.46 120.9 18.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.86 -149.03 4.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.474 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 126.92 13.84 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.627 2.218 . . . . 0.0 112.309 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.3 p -54.28 149.01 21.0 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.561 0.695 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -166.37 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.328 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt 38.88 40.61 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.1 m -75.25 107.82 7.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -94.05 -45.49 7.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 tp -96.84 119.96 36.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.602 HG23 ' HB2' ' A' ' 107' ' ' ALA . 5.7 p -159.44 124.63 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -100.41 136.33 40.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -120.43 119.6 33.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -112.83 150.32 31.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -98.96 103.15 15.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.2 m -130.51 167.3 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -109.9 154.67 22.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.2 130.07 45.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 mp -101.43 -40.1 7.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 131.89 168.54 12.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.539 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.402 ' HB2' ' CE1' ' A' ' 157' ' ' HIS . 19.5 ttp -91.98 145.24 24.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.589 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -135.98 126.68 16.75 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.593 0.711 . . . . 0.0 110.95 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.589 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.71 130.84 20.1 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.273 . . . . 0.0 112.326 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.07 169.77 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.35 -30.26 13.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -125.55 150.63 68.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.553 0.692 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -25.57 28.24 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.652 2.234 . . . . 0.0 112.308 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.798 HG12 ' HB2' ' A' ' 133' ' ' PHE . 15.8 m -138.34 173.05 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.54 122.77 3.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 83' ' ' LEU . 4.3 mmt -54.3 -63.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.771 0.32 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -41.37 -36.06 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -72.03 -36.23 69.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 80' ' ' MET . 4.9 tp -72.35 -54.53 9.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -45.53 -28.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.8 t -65.19 -44.67 87.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.14 -57.4 11.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 45.4 mt -48.4 -54.99 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -61.65 -37.29 83.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -56.79 -58.58 7.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 72' ' ' LEU . 2.3 mm? -65.87 -43.93 86.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 32.2 mtp -48.0 -48.56 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.1 t -80.56 -21.18 41.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.7 t -66.05 -49.42 67.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.0 m -130.58 -177.24 4.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.4 m -104.64 163.63 12.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.584 ' HD2' ' CZ3' ' A' ' 99' ' ' TRP . 18.7 tptp -53.34 -44.72 68.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -62.16 -40.22 95.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -53.8 -37.25 63.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.584 ' CZ3' ' HD2' ' A' ' 96' ' ' LYS . 10.9 m0 -63.73 111.47 5.32 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.532 0.682 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 99' ' ' TRP . 54.0 Cg_endo -69.79 140.49 42.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.637 2.225 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.9 m -70.67 133.95 47.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.8 m -143.01 149.46 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 114' ' ' ILE . 36.9 m-80 -95.09 123.87 38.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 58.9 ttm -94.2 129.57 40.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -104.3 145.6 30.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.6 t -134.45 50.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.602 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -98.47 152.51 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.2 t70 47.56 40.2 11.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.707 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 51.24 31.33 6.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 48.2 m -119.48 139.99 51.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 48.1 t -104.33 111.84 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.2 m -125.53 118.56 26.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.415 HG21 ' CE2' ' A' ' 159' ' ' PHE . 87.3 t -81.67 97.74 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 103' ' ' ASN . 4.9 mm -89.43 145.99 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.3 t -79.2 156.24 28.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -78.85 -36.35 42.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -54.78 -46.07 74.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -135.41 164.68 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -97.31 -21.72 17.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -98.1 31.02 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -114.83 77.8 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 122' ' ' VAL . 0.9 OUTLIER -74.2 85.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.5 mt -59.47 -44.29 93.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 25.1 t -141.88 130.27 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -116.61 99.96 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.9 t -118.6 146.95 44.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -115.62 174.78 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 109' ' ' ALA . 23.3 m -84.97 -24.06 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -74.87 -31.64 61.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -87.01 -30.98 20.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 132' ' ' SER . 2.5 tt -48.67 139.81 9.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.451 ' N ' HD23 ' A' ' 131' ' ' LEU . 33.9 t -104.48 -62.03 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.798 ' HB2' HG12 ' A' ' 78' ' ' VAL . 74.3 t80 -136.78 152.33 50.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 4.0 ptp -155.65 123.99 5.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -150.27 -177.45 24.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.17 140.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -81.9 -170.17 44.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -43.63 -43.03 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.52 157.94 17.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.422 ' HB ' HD13 ' A' ' 18' ' ' LEU . 14.0 m -86.26 -18.43 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 163' ' ' PRO . 18.0 m80 -90.45 12.18 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 17.8 p -114.41 113.92 25.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -127.01 128.96 47.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -135.48 144.85 46.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 9.6 p90 -138.36 132.89 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 65.0 mt -96.67 133.56 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 6.7 ptm -126.85 163.76 22.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -100.03 114.29 27.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.489 HG21 ' CD ' ' A' ' 155' ' ' GLU . 29.2 p -100.74 -14.11 18.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.154 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -144.36 -151.28 5.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -67.7 -56.95 7.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.337 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.461 ' O ' ' CZ ' ' A' ' 154' ' ' PHE . 14.5 mt-30 -129.28 16.54 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 -81.64 146.74 29.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.461 ' CZ ' ' O ' ' A' ' 152' ' ' GLN . 3.2 m-85 -138.62 120.55 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.489 ' CD ' HG21 ' A' ' 149' ' ' THR . 70.0 mt-10 -107.01 123.85 48.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.4 t -101.95 111.37 23.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' HIS . . . . . 0.48 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 89.1 m-70 -106.4 125.83 51.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 23.3 t -102.1 145.4 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 48.3 m-85 -145.59 131.73 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.423 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 37.9 t-105 -80.46 115.62 20.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 69.5 m -89.91 163.01 15.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.561 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 30.3 mt-10 -156.53 140.89 11.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.667 0.746 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.561 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.8 Cg_endo -69.72 -0.04 5.93 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.319 -0.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.663 HD22 ' HB3' ' A' ' 166' ' ' ALA . 0.7 OUTLIER -175.16 176.39 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.94 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 166' ' ' ALA . . . -73.16 -34.3 65.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.663 ' HB3' HD22 ' A' ' 164' ' ' ASN . . . -36.53 -41.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -69.16 -61.16 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 169' ' ' SER . 60.0 t -64.22 -64.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 168' ' ' VAL . 91.3 p -36.88 -42.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -68.92 -48.87 62.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -56.12 -40.19 73.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.04 -49.26 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -58.1 -48.21 80.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -52.84 -49.53 65.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.707 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -52.61 -46.28 66.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.898 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -67.54 112.36 4.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.878 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -143.33 133.87 24.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.825 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.25 -119.09 6.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -124.85 148.07 48.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 t -65.52 -44.26 87.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.83 135.55 1.65 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.436 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 1.7 m-20 -117.62 118.68 32.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 110.835 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . 67.44 41.3 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.41 88.3 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.583 HG12 ' N ' ' A' ' 12' ' ' THR . 68.7 t -74.53 161.88 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.592 HG23 ' HG3' ' A' ' 15' ' ' GLU . 2.7 t -121.32 146.2 44.18 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 6.82 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -90.99 -29.73 17.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.592 ' HG3' HG23 ' A' ' 12' ' ' THR . 1.6 mt-10 -90.05 -38.05 13.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -38.25 -33.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 19' ' ' SER . 7.8 t60 -91.12 -66.14 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 166' ' ' ALA . 31.8 mt -40.48 -26.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' HIS . 68.6 m -62.59 -58.25 8.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -28.89 65.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.8 mmm -71.37 -42.41 68.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -78.54 -26.48 45.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -75.34 -62.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -112.13 -51.41 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.18 -155.27 16.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.487 ' CZ ' ' HG3' ' A' ' 173' ' ' GLN . 23.4 t80 -145.78 111.63 5.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.959 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -102.42 123.27 45.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 26.9 t-20 -56.5 127.5 72.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.665 0.745 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -47.58 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' TYR . 91.7 m -52.35 -55.26 22.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' THR . 39.3 t80 -37.07 -34.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -95.29 -60.91 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -85.72 130.7 34.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.591 ' O ' ' CD2' ' A' ' 34' ' ' PHE . 88.1 t80 63.38 44.05 5.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -98.22 -53.85 3.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -124.54 111.55 15.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.61 173.64 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -144.5 148.26 34.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -154.28 174.93 14.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 t -88.25 157.8 18.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.0 -69.49 1.31 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.6 p -41.78 -55.46 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.901 0.381 . . . . 0.0 110.848 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 t -73.53 85.03 1.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 167.55 120.0 0.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 t -86.43 -45.64 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.824 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.6 t -148.84 171.15 16.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.14 164.87 23.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.8 t -88.79 99.25 12.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.932 0.396 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -111.67 134.14 53.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.6 -104.46 2.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.8 m 42.11 40.4 1.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.922 0.391 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 t -156.75 126.76 6.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.89 -74.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.529 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 150.26 67.8 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.3 p -97.98 147.39 33.0 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.558 0.694 . . . . 0.0 111.153 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 123.01 9.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -91.87 171.19 9.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.1 t -166.86 149.67 6.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.448 ' HG2' ' N ' ' A' ' 60' ' ' LEU . 1.2 pm0 -74.99 -33.16 61.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.452 ' C ' HD23 ' A' ' 60' ' ' LEU . 5.0 tt -95.29 126.81 40.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.623 HG13 ' HB2' ' A' ' 107' ' ' ALA . 99.8 t -146.1 135.95 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -95.74 122.89 39.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -118.41 113.68 21.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -112.08 130.99 55.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -81.02 106.1 12.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.468 HG11 ' SG ' ' A' ' 161' ' ' CYS . 14.9 m -132.28 164.77 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -101.25 149.2 24.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.549 ' CD2' HG11 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -96.76 129.6 44.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mp -98.19 -44.63 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.8 167.43 11.73 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.452 ' CG ' ' NE2' ' A' ' 157' ' ' HIS . 8.1 tmm? -88.19 146.3 25.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.584 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -134.87 126.77 18.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.603 0.715 . . . . 0.0 110.927 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.584 ' HD2' HD13 ' A' ' 72' ' ' LEU . 54.0 Cg_endo -69.76 131.18 20.7 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 m -117.37 -177.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -120.09 -20.68 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.7 mtt85 -125.28 139.92 34.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.641 0.734 . . . . 0.0 110.851 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 -21.4 33.4 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.65 2.233 . . . . 0.0 112.356 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 133' ' ' PHE . 27.0 m -141.52 165.71 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.46 128.58 3.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 83' ' ' LEU . 5.6 mmt -60.57 -61.65 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.763 0.316 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 80' ' ' MET . 36.6 t0 -36.42 -36.91 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.0 m -70.86 -47.21 60.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.194 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.516 HD21 ' O ' ' A' ' 135' ' ' GLY . 3.4 tp -62.57 -56.04 21.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -47.73 -25.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.9 t -71.99 -42.89 65.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.47 -40.11 95.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.422 ' O ' ' CG ' ' A' ' 91' ' ' MET . 64.3 mt -62.33 -53.75 43.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -65.4 -32.99 74.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -56.53 -63.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.44 ' CD2' HD23 ' A' ' 72' ' ' LEU . 4.0 mm? -61.82 -33.04 73.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.422 ' CG ' ' O ' ' A' ' 87' ' ' ILE . 37.1 mmm -61.19 -28.26 69.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -90.8 -44.93 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.205 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -58.01 -48.1 81.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.0 m -115.28 179.48 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.1 p -107.84 169.49 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 38.0 tttm -61.91 -29.44 70.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -82.02 -47.64 12.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -40.41 -37.65 0.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.569 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 7.0 m0 -57.58 109.42 1.76 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.586 0.708 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 139.63 40.51 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.232 . . . . 0.0 112.333 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.425 ' HB3' ' CD ' ' A' ' 116' ' ' GLU . 57.7 m -67.35 136.27 54.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.7 m -147.76 159.68 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -107.15 128.54 54.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 19.3 tpp -95.87 131.78 41.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -106.76 129.23 54.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 106' ' ' VAL . 47.3 t -118.62 41.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.623 ' HB2' HG13 ' A' ' 61' ' ' VAL . . . -85.66 145.64 27.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.9 t70 45.11 48.8 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 45.54 35.02 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.3 m -121.5 139.48 53.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.6 t -105.14 120.27 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.831 HG23 HG13 ' A' ' 122' ' ' VAL . 22.3 m -134.93 108.39 7.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.165 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.557 HG12 HD12 ' A' ' 123' ' ' LEU . 58.5 t -71.5 96.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.1 mm -87.36 151.89 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.611 ' OG ' HD21 ' A' ' 123' ' ' LEU . 2.3 m -83.93 153.38 23.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.425 ' CD ' ' HB3' ' A' ' 101' ' ' SER . 16.0 mt-10 -80.03 -24.58 40.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -80.52 -38.41 29.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -129.56 129.72 44.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -77.72 -32.4 52.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -85.69 31.6 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -117.0 117.79 30.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.831 HG13 HG23 ' A' ' 112' ' ' THR . 55.0 t -103.02 72.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.611 HD21 ' OG ' ' A' ' 115' ' ' SER . 9.0 mt -42.95 -44.82 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.533 HG21 ' OH ' ' A' ' 68' ' ' TYR . 87.0 t -145.89 130.59 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -114.97 100.9 8.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.429 ' C ' ' HD3' ' A' ' 127' ' ' ARG . 8.0 t -118.62 143.28 46.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.464 ' NH1' ' CE1' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -119.19 142.47 47.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.831 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.455 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 16.0 m -55.47 -18.26 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -65.3 -54.13 33.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.464 ' CE1' ' NH1' ' A' ' 127' ' ' ARG . 9.1 m-85 -73.4 -30.3 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.648 HD13 ' HE1' ' A' ' 134' ' ' MET . 1.8 tt -42.78 127.65 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.52 ' N ' HD23 ' A' ' 131' ' ' LEU . 46.7 p -101.78 -57.78 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.575 ' HB2' HG12 ' A' ' 78' ' ' VAL . 11.7 t80 -130.74 156.73 44.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.648 ' HE1' HD13 ' A' ' 131' ' ' LEU . 5.6 ptp -161.88 118.61 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.516 ' O ' HD21 ' A' ' 83' ' ' LEU . . . -157.15 177.38 34.04 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.468 HG21 ' CD2' ' A' ' 18' ' ' LEU . 97.3 t -103.76 149.5 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 111.135 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -84.83 -160.55 32.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.95 -34.99 63.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -99.01 165.66 11.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 20.3 m -95.28 -2.18 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.534 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 35.0 m80 -105.08 14.79 28.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 22.7 p -125.5 106.59 9.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -118.0 128.11 54.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -136.85 150.99 48.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 14.5 p90 -141.27 138.84 33.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 63.3 mt -101.44 119.54 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 5.0 ptm -106.88 171.54 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -107.86 103.21 12.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 64.1 p -98.03 33.62 2.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 157.49 -154.1 25.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -70.56 -64.77 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -119.88 22.62 11.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -92.1 124.48 36.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -126.33 120.43 29.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -111.07 117.33 33.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.3 t -98.56 109.28 22.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' HIS . . . . . 0.452 ' NE2' ' CG ' ' A' ' 71' ' ' MET . 74.8 m80 -102.87 131.95 49.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 27.9 t -105.68 144.95 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -141.76 140.79 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.534 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 40.5 t-105 -99.41 129.07 45.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.468 ' SG ' HG11 ' A' ' 66' ' ' VAL . 72.8 m -121.93 161.75 22.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.546 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 30.0 mt-10 -150.99 152.58 31.78 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.657 0.741 . . . . 0.0 110.934 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.9 Cg_endo -69.8 0.05 5.99 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.358 0.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.489 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 44.4 p-10 -168.53 171.85 8.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -100.0 21.57 12.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.563 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -69.25 -43.06 74.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -69.0 -65.2 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 89.1 t -45.36 -59.19 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 86.3 p -46.04 -41.95 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -69.91 -44.33 69.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -57.47 -43.85 84.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 175' ' ' ALA . 93.9 t -70.04 -48.68 61.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' GLN . . . . . 0.487 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 31.9 tt0 -59.94 -61.82 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.21 -36.49 13.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 172' ' ' VAL . . . -50.43 -42.59 54.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.894 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -136.18 158.66 43.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.884 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -108.83 125.59 52.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.76 160.92 23.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -133.82 151.3 51.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.368 . . . . 0.0 110.847 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 t -160.45 165.88 30.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.46 177.59 20.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -86.79 147.69 25.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.798 0.332 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.44 176.69 9.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.35 98.63 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.6 t -124.16 139.66 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.42 ' CG2' ' HG2' ' A' ' 15' ' ' GLU . 5.6 t -80.11 142.21 55.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.598 0.713 . . . . 0.0 111.139 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -3.39 11.89 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.734 2.29 . . . . 0.0 112.325 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -88.87 -23.02 22.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.559 ' OE2' HG11 ' A' ' 140' ' ' VAL . 35.9 mm-40 -88.97 -29.88 19.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -48.74 -45.19 39.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -86.66 -50.47 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 166' ' ' ALA . 18.5 mt -49.24 -27.23 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.8 t -55.88 -54.91 38.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -56.5 -36.45 69.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 mmt -63.41 -42.09 98.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -83.84 -0.14 49.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -91.34 -63.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -125.8 -44.56 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.2 -169.86 13.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -128.61 112.57 14.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -88.85 116.98 27.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -65.59 115.08 18.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -40.39 5.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.683 HG21 ' HD3' ' A' ' 129' ' ' ARG . 34.1 m -54.21 -19.9 5.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -77.73 -70.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -51.48 -29.33 16.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -78.81 155.02 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.556 ' O ' ' CD2' ' A' ' 34' ' ' PHE . 88.2 t80 63.9 41.94 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -108.22 -57.74 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -110.52 44.78 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 61.3 mtp -102.91 43.57 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -96.44 43.65 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -53.26 -46.17 69.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.8 t -75.26 85.08 2.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.05 -117.19 1.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.0 t -152.62 130.02 11.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.5 m -42.8 147.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.26 48.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.5 t -120.55 156.77 30.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.7 m -50.65 174.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.92 -59.7 0.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.3 t -54.89 147.01 16.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.5 t -170.35 131.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -63.77 94.82 0.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.3 p -136.75 126.39 25.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.374 . . . . 0.0 110.862 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.2 t -107.92 168.24 9.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.5 178.61 48.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -177.81 2.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.376 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.7 p -117.49 137.43 24.13 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.606 0.717 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 152.06 68.91 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.0 162.09 14.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.1 p -137.11 145.47 43.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -72.31 -43.09 64.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 tp -86.07 118.42 25.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.794 HG23 ' HB2' ' A' ' 107' ' ' ALA . 7.5 p -159.37 144.7 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -124.21 130.41 52.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -112.19 117.43 32.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -111.37 152.9 26.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 48.0 ttp85 -101.46 118.03 36.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.1 m -146.15 177.62 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -117.02 151.87 35.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -97.22 129.04 44.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.954 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.444 HD22 HG11 ' A' ' 158' ' ' VAL . 2.6 mp -101.25 -38.43 8.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.27 163.94 11.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.453 ' HG2' ' N ' ' A' ' 72' ' ' LEU . 10.5 ttp -84.13 145.95 28.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.577 HD23 ' CD2' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -136.94 125.2 14.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.584 0.707 . . . . 0.0 110.951 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.57 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.7 Cg_endo -69.78 137.4 35.33 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 30.5 m -124.96 165.68 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -93.14 -28.65 16.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -127.23 142.12 42.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.701 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.14 36.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.646 2.23 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.721 HG12 ' HB2' ' A' ' 133' ' ' PHE . 13.8 m -135.77 169.14 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 113.2 121.84 3.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.473 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.0 mmt -56.85 -54.76 42.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -45.51 -31.18 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.3 m -76.56 -43.88 37.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.39 -53.78 47.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -54.0 -26.14 24.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.8 t -66.98 -40.32 87.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.33 -60.89 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 34.4 mt -41.09 -48.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.1 -36.96 83.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.3 -47.42 85.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.577 ' CD2' HD23 ' A' ' 72' ' ' LEU . 2.0 mm? -76.75 -47.77 20.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.0 mtp -39.21 -48.1 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.5 t -75.78 -27.89 58.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 90' ' ' LEU . 70.1 m -63.85 -49.7 71.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.807 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 m -126.86 155.29 43.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.513 ' O ' ' CE2' ' A' ' 99' ' ' TRP . 79.4 p -82.3 -177.53 6.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.512 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 21.7 tttt -70.89 -26.36 63.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -89.82 -25.67 20.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.41 -30.51 71.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.513 ' CE2' ' O ' ' A' ' 95' ' ' SER . 4.7 m0 -70.43 113.35 17.54 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.549 0.69 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 138.48 37.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.9 p -64.59 137.15 57.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.802 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.5 m -145.72 147.6 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -97.71 121.56 39.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 52.9 ttm -88.95 133.86 34.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -110.77 142.9 42.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 106' ' ' VAL . 21.2 t -133.49 42.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.794 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -83.05 145.04 29.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 t0 43.0 53.61 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 42.63 39.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.569 HG23 ' HG2' ' A' ' 127' ' ' ARG . 20.9 m -123.55 137.12 54.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 47.3 t -103.78 113.14 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 62.2 m -128.23 110.29 12.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.8 t -75.9 99.73 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.8 mm -90.6 151.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -86.7 139.18 31.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -70.95 -24.4 62.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -26.49 61.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -159.76 114.72 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.67 -33.12 63.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 120' ' ' GLU . 17.6 mp0 -81.73 16.83 1.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -107.2 76.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.432 HG12 ' H ' ' A' ' 122' ' ' VAL . 1.8 p -74.05 96.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.2 mt -70.33 -48.25 57.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 59.4 t -135.13 134.05 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -124.03 95.67 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.96 171.57 8.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.569 ' HG2' HG23 ' A' ' 110' ' ' THR . 10.5 mtt-85 -131.4 -177.33 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.4 m -80.95 -37.75 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.683 ' HD3' HG21 ' A' ' 30' ' ' THR . 55.7 mmt-85 -62.75 -37.47 86.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -72.28 -37.81 68.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.687 HD23 ' N ' ' A' ' 132' ' ' SER . 2.2 tt -46.23 148.58 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.687 ' N ' HD23 ' A' ' 131' ' ' LEU . 96.4 p -111.79 -62.75 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.721 ' HB2' HG12 ' A' ' 78' ' ' VAL . 58.1 t80 -134.91 140.44 45.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.489 ' HE1' HD22 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -131.44 134.19 45.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -166.08 170.2 40.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.525 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 90.3 t -111.07 140.94 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.383 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -72.97 -168.2 12.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -52.65 -39.85 62.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -91.13 158.05 16.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.559 HG11 ' OE2' ' A' ' 15' ' ' GLU . 27.3 m -87.52 0.33 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 31.2 m80 -109.18 13.67 24.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 18.1 p -121.58 105.85 10.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -115.78 131.0 57.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -135.22 149.42 49.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.532 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 10.5 p90 -145.35 134.42 22.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 28.8 mt -100.37 127.61 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 11.1 ptm -116.14 157.54 24.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -99.0 104.88 16.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 51.2 p -85.65 -48.07 9.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -113.38 -141.8 8.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -79.19 -68.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.32 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -113.55 27.77 9.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -97.5 136.81 37.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -131.65 122.86 26.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -117.08 119.74 36.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.7 t -98.14 115.87 29.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' HIS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 92.0 m-70 -102.76 126.76 50.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.444 HG11 HD22 ' A' ' 69' ' ' LEU . 19.9 t -100.02 144.57 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 45.0 m-85 -148.23 129.81 14.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 31.6 t-105 -88.23 126.06 34.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.448 ' SG ' HG21 ' A' ' 168' ' ' VAL . 85.6 m -116.35 148.69 40.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.541 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 16.5 mt-10 -140.41 152.06 65.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.0 Cg_endo -69.73 0.19 5.84 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.372 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.488 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 26.6 p30 -173.22 169.8 4.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -96.59 33.06 1.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.452 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -80.6 -36.55 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -81.17 -52.58 7.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.448 HG21 ' SG ' ' A' ' 161' ' ' CYS . 53.8 t -50.97 -65.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 2.2 m -43.37 -48.11 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -57.07 -49.22 76.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -55.85 -37.9 69.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.96 -50.33 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -54.33 -63.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -45.98 -43.77 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.061 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -52.01 -39.71 59.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 79.8 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -169.37 119.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.935 0.398 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 m -114.59 110.61 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.92 -148.17 8.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -109.29 153.04 24.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -59.61 163.71 4.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.17 43.52 1.88 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -174.85 150.73 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.29 179.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 51.51 47.47 24.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 p -81.63 134.25 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.479 ' CG2' ' HG2' ' A' ' 15' ' ' GLU . 15.1 t -76.49 140.68 68.64 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 111.1 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 3.72 2.61 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -93.7 -24.77 17.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.479 ' HG2' ' CG2' ' A' ' 12' ' ' THR . 15.7 mm-40 -88.85 -33.68 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -61.95 -38.25 87.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -79.29 -39.16 33.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.41 -34.26 74.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.2 p -60.82 -53.13 61.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 21' ' ' MET . 13.1 ptpt -59.61 -38.9 82.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.452 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 4.5 mtp -62.91 -44.13 96.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -70.23 -5.73 29.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -99.09 -57.24 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -107.47 -61.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.16 -150.39 17.9 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.514 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.481 ' CE2' ' HG3' ' A' ' 173' ' ' GLN . 24.3 t80 -148.49 109.8 4.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.934 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -101.79 109.83 21.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -56.51 119.21 26.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -42.76 3.11 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.301 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.612 HG23 ' HG3' ' A' ' 35' ' ' GLU . 60.7 m -41.38 -31.26 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -73.45 -61.89 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.506 ' CD ' ' CD2' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -65.44 -7.38 13.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' CD2' ' CD ' ' A' ' 32' ' ' LYS . 14.0 m-85 -107.41 165.84 11.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -107.35 72.39 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.612 ' HG3' HG23 ' A' ' 30' ' ' THR . 10.3 pt-20 -126.3 -4.4 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -76.33 -37.77 56.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.453 ' N ' ' SD ' ' A' ' 37' ' ' MET . 3.4 mpp? -93.44 178.91 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -119.24 149.89 41.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 39' ' ' ASN . 13.6 t-20 -134.51 105.29 6.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t -126.72 104.08 7.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.12 -71.06 0.73 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 m -87.99 143.8 26.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.366 . . . . 0.0 110.885 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.5 p -130.6 168.37 17.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.46 87.58 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.8 p -101.06 168.57 9.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.849 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.3 t -63.56 105.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.65 148.4 6.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.45 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.5 p -94.18 113.41 25.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.826 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.1 m -158.16 151.22 22.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -122.04 77.25 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.9 p -129.33 107.76 9.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.0 p -72.12 -53.38 12.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.77 146.9 21.78 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' THR . 53.3 Cg_endo -69.78 106.69 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.295 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' PRO . 17.4 p -37.61 143.03 0.39 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.713 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 99.91 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.19 164.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.2 p -124.36 123.77 40.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -53.13 -25.75 14.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.457 ' C ' HD23 ' A' ' 60' ' ' LEU . 2.9 tt -67.12 132.48 47.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.025 HG23 ' HB2' ' A' ' 107' ' ' ALA . 7.2 p -157.8 120.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 106' ' ' VAL . 21.1 mt-30 -106.76 119.05 38.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.25 150.87 42.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -136.75 177.75 7.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -112.96 106.73 15.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.3 m -131.85 171.58 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -112.46 156.95 21.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.51 129.56 45.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.426 HD22 HG11 ' A' ' 158' ' ' VAL . 2.9 mp -94.47 -56.4 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 147.96 152.21 5.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.443 ' HG3' ' CE1' ' A' ' 157' ' ' HIS . 16.9 ttp -76.02 138.77 41.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.718 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -133.49 125.63 18.73 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.618 0.723 . . . . 0.0 110.917 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.718 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.77 133.12 24.77 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.375 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.3 m -119.01 173.71 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -104.43 -26.29 12.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -130.31 148.67 70.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -22.78 31.46 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.679 2.252 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.856 HG12 ' HB2' ' A' ' 133' ' ' PHE . 11.2 m -136.21 172.62 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.69 118.51 3.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.3 mmt -54.27 -51.12 65.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -50.77 -25.03 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.7 m -85.44 -44.32 12.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.75 -55.87 17.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -54.13 -28.02 37.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.96 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.2 t -64.43 -43.95 92.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.54 -47.02 71.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 65.4 mt -50.62 -54.19 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -65.79 -33.06 74.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.547 ' O ' HG22 ' A' ' 92' ' ' THR . 3.2 m120 -58.9 -51.57 69.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.55 HD22 HD23 ' A' ' 72' ' ' LEU . 1.4 mm? -73.02 -43.47 62.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 55.0 mtp -47.89 -40.46 21.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 89' ' ' ASN . 5.0 t -82.86 -22.61 34.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 28.0 t -74.04 -31.76 63.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -137.41 177.56 7.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.587 ' O ' ' CD1' ' A' ' 99' ' ' TRP . 70.6 m -102.0 166.5 10.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.825 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.54 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 55.3 tttm -67.32 -37.14 82.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -82.95 -24.97 32.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -69.48 -28.78 66.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 95' ' ' SER . 22.6 m0 -57.73 121.23 47.86 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.545 0.688 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 141.12 44.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.63 2.22 . . . . 0.0 112.378 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.7 m -75.39 140.42 42.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.6 m -150.81 144.62 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -92.76 130.02 38.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.1 tpp -96.53 146.2 25.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -117.82 133.36 56.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 106' ' ' VAL . 40.3 t -125.52 44.24 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 1.025 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -90.1 148.84 22.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.9 t70 42.31 51.34 4.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.693 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 43.75 38.94 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.7 m -123.75 136.33 54.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 63.6 t -103.82 114.27 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.631 ' CG2' HG23 ' A' ' 122' ' ' VAL . 18.4 m -129.08 118.26 22.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.3 t -81.0 96.66 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.403 HG23 ' O ' ' A' ' 119' ' ' GLU . 7.9 mm -87.29 143.34 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -78.04 160.5 28.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -81.09 -42.26 21.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -74.62 -35.54 62.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -125.75 128.47 47.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 114' ' ' ILE . 19.9 tt0 -85.17 -38.44 19.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -87.71 29.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.402 ' C ' HG12 ' A' ' 122' ' ' VAL . 6.5 tp10 -89.28 -33.53 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 122' ' ' VAL . 7.1 p 40.7 48.73 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 122' ' ' VAL . 12.7 mt -34.65 -45.19 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 98.4 t -139.91 138.55 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -128.01 98.47 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.4 t -117.59 151.5 37.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -116.99 167.51 11.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 109' ' ' ALA . 18.4 m -76.56 -35.36 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 130' ' ' PHE . 1.4 ppt_? -69.21 -7.14 33.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 129' ' ' ARG . 3.7 m-85 -110.23 -27.1 9.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 134' ' ' MET . 1.8 tt -53.89 133.95 42.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.3 m -98.67 -63.6 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.856 ' HB2' HG12 ' A' ' 78' ' ' VAL . 28.6 t80 -133.03 151.71 52.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.572 ' HB3' HD21 ' A' ' 131' ' ' LEU . 4.9 ptp -158.81 120.14 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -143.01 -161.53 8.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.5 t -123.94 140.98 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -82.49 -175.34 50.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -47.67 -34.81 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -98.31 148.39 23.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 165' ' ' ALA . 25.4 m -76.24 -7.14 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -104.36 12.97 32.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.1 p -116.41 112.63 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -124.23 132.18 53.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -137.85 142.26 40.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.069 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -138.26 141.23 39.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 20.6 mt -105.95 129.71 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.2 ptm -114.38 165.82 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -108.68 108.62 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 63.2 p -85.56 -43.52 13.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 144.77 153.96 6.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 71.53 44.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 51.57 30.01 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -101.58 135.73 42.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -129.41 124.5 34.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.416 ' CD ' ' SD ' ' A' ' 71' ' ' MET . 15.4 mm-40 -106.86 141.03 38.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.4 t -111.27 110.45 20.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' HIS . . . . . 0.443 ' CE1' ' HG3' ' A' ' 71' ' ' MET . 90.0 m-70 -105.4 126.49 52.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.426 HG11 HD22 ' A' ' 69' ' ' LEU . 14.7 t -105.96 151.09 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.154 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 158' ' ' VAL . 49.8 m-85 -149.39 140.77 23.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.527 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 46.9 t-105 -90.44 117.19 28.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.481 ' SG ' HG21 ' A' ' 168' ' ' VAL . 79.6 m -104.01 155.34 18.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.547 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 82.2 mt-10 -154.74 151.43 23.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.671 0.748 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.72 -0.69 6.23 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.328 0.006 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.471 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 50.8 p30 -167.45 173.25 8.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -86.49 -12.68 48.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -47.98 -41.8 26.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.52 -57.95 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.481 HG21 ' SG ' ' A' ' 161' ' ' CYS . 83.8 t -61.31 -68.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 168' ' ' VAL . 35.3 p -35.12 -35.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 168' ' ' VAL . 25.3 tt0 -77.28 -57.6 3.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -46.18 -38.4 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 88.1 t -71.29 -54.34 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.143 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' GLN . . . . . 0.481 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 3.3 tt0 -51.92 -57.32 9.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -50.43 -36.13 31.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.693 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -64.91 -41.95 95.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 94.4 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 m -68.99 105.96 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.876 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -112.3 177.87 4.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.19 82.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -98.13 172.58 7.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.351 . . . . 0.0 110.848 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m -147.49 164.22 34.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.49 89.47 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -167.04 124.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.349 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.02 85.94 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.3 113.88 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.078 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.4 t -109.08 150.64 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 t -94.5 142.67 25.12 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.575 0.702 . . . . 0.0 111.141 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -7.02 19.98 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.61 -23.39 37.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 16' ' ' ARG . 5.7 mm-40 -92.1 -59.75 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 15' ' ' GLU . 41.6 mtp180 -35.85 -42.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -71.37 -47.33 56.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.527 ' CD2' HG21 ' A' ' 136' ' ' VAL . 17.7 mt -62.61 -24.87 67.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.0 m -65.57 -56.06 14.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 21' ' ' MET . 3.7 ptmm? -56.39 -34.16 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.466 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 12.0 mtp -67.17 -40.69 86.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -70.18 -35.77 74.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -62.44 -64.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -111.42 -57.24 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.03 -165.69 12.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.439 ' CD1' ' HE3' ' A' ' 134' ' ' MET . 18.9 t80 -119.16 100.45 7.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 0.0 110.882 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.512 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 30.8 mp0 -94.24 115.77 28.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 18.5 t-20 -60.74 114.18 9.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.568 0.699 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 -28.09 25.32 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.9 m -63.95 -41.63 97.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -48.23 -62.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -41.81 -47.02 4.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -71.03 -33.06 69.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.431 ' O ' ' C ' ' A' ' 35' ' ' GLU . 10.1 t80 -65.16 -41.76 94.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' PHE . 18.7 mt-10 -35.86 -59.69 0.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -128.07 93.7 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 70.8 mtp -95.49 174.29 7.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -84.89 82.97 8.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -62.64 104.44 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.7 p -108.66 122.32 46.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.01 152.23 23.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.3 p -101.02 -51.42 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.9 m -161.4 133.04 5.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.4 82.74 0.87 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 85.7 p -153.86 132.34 12.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.912 0.386 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.5 m -119.6 148.7 43.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.822 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.78 52.48 3.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 91.5 p -148.34 164.28 34.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.7 m -77.92 130.33 36.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.87 84.05 0.24 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.3 m -95.66 98.23 10.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.851 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -81.06 113.41 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.16 162.5 11.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -174.93 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.7 p -72.62 147.45 89.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.589 0.709 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 136.51 33.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.652 2.235 . . . . 0.0 112.33 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -38.42 145.14 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.6 m -146.91 137.27 23.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -121.24 -63.67 1.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.8 tp -71.92 129.39 38.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.458 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.4 p -154.61 141.1 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -116.02 138.91 50.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -121.26 115.32 22.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -106.86 133.43 51.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -83.0 101.25 10.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.0 m -127.97 171.61 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -113.21 152.62 29.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -99.08 128.95 45.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.476 HD22 HG11 ' A' ' 158' ' ' VAL . 2.7 mp -99.49 -44.57 6.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 134.91 170.41 12.18 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 12.9 tmm? -92.01 141.79 28.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.593 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -133.31 127.02 19.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.907 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.593 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.9 Cg_endo -69.75 128.81 16.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.7 m -114.93 172.6 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -96.15 -28.14 14.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -135.48 149.25 68.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.631 0.729 . . . . 0.0 110.847 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -22.97 31.53 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.732 2.288 . . . . 0.0 112.345 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.597 HG12 ' HB2' ' A' ' 133' ' ' PHE . 14.5 m -130.1 170.51 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.23 102.2 2.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 83' ' ' LEU . 1.6 mmt -42.02 -61.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 80' ' ' MET . 2.9 m-20 -37.11 -42.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.6 m -66.38 -45.09 81.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 80' ' ' MET . 2.0 tp -59.25 -51.97 67.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -50.27 -32.27 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.4 t -62.71 -43.93 97.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.72 -54.49 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.062 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.435 ' CG2' HG21 ' A' ' 142' ' ' THR . 56.7 mt -46.37 -56.02 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.44 -45.34 93.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -45.82 -58.53 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 72' ' ' LEU . 4.3 mm? -66.41 -51.17 59.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 68.6 mtp -42.49 -40.19 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.2 p -77.05 -42.73 37.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.155 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -58.91 -52.5 65.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.3 m -118.31 157.17 27.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 m -86.46 162.21 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.518 ' HA ' ' CD2' ' A' ' 99' ' ' TRP . 23.4 tttm -54.26 -41.96 69.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -73.91 -33.05 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.86 -28.63 64.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.518 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 6.8 m0 -67.85 120.47 74.03 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.585 0.707 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 153.45 69.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.364 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.6 p -82.37 130.34 35.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.8 m -141.44 148.82 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -97.32 138.07 35.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 50.4 ttm -105.17 130.98 53.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.459 ' ND2' HG13 ' A' ' 114' ' ' ILE . 12.3 m-20 -104.33 135.1 46.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 t -124.61 38.19 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.458 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -85.35 151.16 24.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 t70 44.08 47.57 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.538 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 44.82 35.12 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.467 HG23 ' HD3' ' A' ' 127' ' ' ARG . 62.7 m -121.18 144.54 48.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.5 t -110.93 113.5 44.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.946 ' CG2' HG13 ' A' ' 122' ' ' VAL . 31.6 m -128.05 111.25 13.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.543 HG12 HD12 ' A' ' 123' ' ' LEU . 62.8 t -68.85 92.17 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.459 HG13 ' ND2' ' A' ' 105' ' ' ASN . 19.2 mm -82.59 139.91 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.448 ' CB ' ' HG2' ' A' ' 121' ' ' GLU . 1.2 t -78.49 147.58 33.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' CD ' ' O ' ' A' ' 116' ' ' GLU . 0.6 OUTLIER -73.05 -17.1 61.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -73.01 -25.79 61.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -164.38 149.61 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -75.5 -45.06 40.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -64.79 -15.24 61.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.448 ' HG2' ' CB ' ' A' ' 115' ' ' SER . 7.8 tp10 -70.72 104.05 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.946 HG13 ' CG2' ' A' ' 112' ' ' THR . 89.1 t -102.6 87.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.543 HD12 HG12 ' A' ' 113' ' ' VAL . 13.0 mt -58.61 -46.75 86.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 57.9 t -141.05 139.62 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -125.61 101.16 6.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.2 t -117.37 146.42 43.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.467 ' HD3' HG23 ' A' ' 110' ' ' THR . 5.6 mmt85 -117.63 144.81 44.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.462 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 8.2 m -51.73 -20.02 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 18.6 mmt-85 -74.35 -34.86 63.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -86.44 -25.63 25.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.636 HD21 ' HB3' ' A' ' 134' ' ' MET . 3.1 tt -56.79 126.81 28.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.2 p -98.38 -59.65 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.597 ' HB2' HG12 ' A' ' 78' ' ' VAL . 12.8 t80 -133.38 151.77 51.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.636 ' HB3' HD21 ' A' ' 131' ' ' LEU . 4.2 ptp -159.04 118.96 3.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -150.43 -172.99 20.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.527 HG21 ' CD2' ' A' ' 18' ' ' LEU . 67.2 t -114.64 138.62 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 111.18 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -82.0 -169.57 43.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -41.93 -53.13 3.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.75 0.31 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.46 160.55 26.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.435 ' CG1' HD13 ' A' ' 18' ' ' LEU . 31.6 m -92.07 -4.38 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.516 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 32.3 m80 -106.49 19.24 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.435 HG21 ' CG2' ' A' ' 87' ' ' ILE . 7.9 p -123.84 105.14 9.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -116.33 128.34 55.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -132.0 148.27 52.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 12.8 p90 -142.69 129.84 20.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 16.9 mt -97.71 131.88 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.9 ptm -120.79 166.27 13.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.91 115.11 29.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 30.1 p -107.19 39.18 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 69.35 158.73 1.84 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 152' ' ' GLN . 6.9 t-20 62.13 47.18 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.321 . . . . 0.0 110.89 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 151' ' ' ASN . 3.6 pt20 37.71 33.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -89.22 150.34 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -132.9 118.65 19.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -109.77 114.31 27.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.6 t -92.84 107.97 19.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' HIS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 94.2 m-70 -102.95 128.05 49.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.476 HG11 HD22 ' A' ' 69' ' ' LEU . 38.9 t -103.02 142.9 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 35.4 m-85 -144.45 133.1 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.516 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 24.1 t-105 -84.96 124.81 32.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.499 ' SG ' HG21 ' A' ' 168' ' ' VAL . 69.7 m -107.61 162.56 13.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.548 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 23.4 mt-10 -159.37 150.11 15.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.641 0.734 . . . . 0.0 110.909 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.76 1.25 5.4 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.325 0.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.582 ' ND2' ' HB3' ' A' ' 166' ' ' ALA . 36.6 p-10 -174.51 158.48 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -64.74 -30.17 71.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.582 ' HB3' ' ND2' ' A' ' 164' ' ' ASN . . . -40.56 -35.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -69.45 -65.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.499 HG21 ' SG ' ' A' ' 161' ' ' CYS . 86.3 t -57.35 -64.15 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 168' ' ' VAL . 95.1 p -36.74 -47.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -61.32 -54.72 40.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.11 -39.16 59.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.11 -54.36 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -41.58 -56.14 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -54.59 -45.76 73.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.538 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -50.78 -44.85 58.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 98.5 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.922 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -160.66 167.77 26.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.877 0.37 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -38.49 145.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.65 43.6 3.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 m -111.83 152.01 28.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 m -129.55 125.45 36.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.14 -68.78 0.2 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -54.0 160.91 1.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.63 159.73 25.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.41 126.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.087 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.5 HG13 ' CD ' ' A' ' 15' ' ' GLU . 17.3 t -68.6 140.98 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.168 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -86.38 144.75 38.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.562 0.696 . . . . 0.0 111.132 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 0.2 5.99 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.648 2.232 . . . . 0.0 112.385 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.16 -43.75 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.5 ' CD ' HG13 ' A' ' 11' ' ' VAL . 6.0 pt-20 -65.73 -37.08 85.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.444 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 29.8 mmm-85 -40.2 -44.61 1.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 19' ' ' SER . 1.4 t60 -79.67 -52.47 7.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.712 HD13 ' HB ' ' A' ' 140' ' ' VAL . 16.0 mt -37.63 -27.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 17' ' ' HIS . 12.5 t -57.87 -68.48 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -46.86 -27.41 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.43 ' HG3' ' NE2' ' A' ' 17' ' ' HIS . 75.9 mmm -75.94 -40.37 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -73.57 -18.95 61.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -89.68 -48.06 7.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.85 -63.21 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.96 -144.44 18.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' A' ' 173' ' ' GLN . 19.4 t80 -157.3 111.39 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 110.939 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -98.5 105.66 17.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.416 ' HA ' ' HD2' ' A' ' 29' ' ' PRO . 42.3 t-20 -61.9 110.92 3.67 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.471 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 54.4 Cg_endo -69.74 -28.75 24.99 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.628 2.219 . . . . 0.0 112.385 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -59.43 -26.71 65.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -77.04 -61.14 2.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -16.64 8.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.471 ' CD2' ' O ' ' A' ' 29' ' ' PRO . 3.0 m-85 -76.57 166.96 22.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -67.63 -39.54 84.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -39.18 -40.55 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.45 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 9.4 tm0? -67.1 73.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.7 mmt -132.64 151.3 51.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pm0 -165.85 151.41 8.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -136.16 152.03 50.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 m -126.35 178.6 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.24 42.34 96.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.546 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.0 m -43.86 -46.95 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 110.87 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.3 t -90.59 -57.07 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.44 -139.32 10.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.47 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.4 m 50.55 41.61 25.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.946 0.403 . . . . 0.0 110.851 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.8 t 48.48 42.39 18.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.34 94.52 0.45 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.4 m -67.52 163.15 21.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.7 t -96.18 127.62 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.822 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 158.15 47.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.47 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.2 m -75.31 166.71 23.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 110.854 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -48.36 124.0 7.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.93 137.96 8.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 169.06 19.72 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 2.249 . . . . 0.0 112.358 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.5 p -67.08 145.16 98.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.606 0.717 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 153.24 69.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -75.18 119.46 19.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.572 HG21 ' HB1' ' A' ' 107' ' ' ALA . 13.5 t -151.32 141.38 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -77.87 -52.6 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 61' ' ' VAL . 2.2 tt -71.99 136.82 46.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.107 HG23 ' HB2' ' A' ' 107' ' ' ALA . 12.7 p -166.09 134.51 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -130.3 139.91 50.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.21 120.41 35.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.402 ' HE2' HG21 ' A' ' 106' ' ' VAL . 91.5 m-85 -113.02 153.05 28.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -100.28 109.59 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.6 m -137.97 167.07 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -106.65 158.29 17.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -101.36 128.97 47.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.595 HD13 HG12 ' A' ' 158' ' ' VAL . 3.1 mp -97.78 -49.46 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.06 164.32 9.84 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.44 ' HG2' ' N ' ' A' ' 72' ' ' LEU . 19.4 ttp -83.82 148.8 26.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.659 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -139.37 128.17 13.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.587 0.708 . . . . 0.0 110.967 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.659 ' HD2' HD13 ' A' ' 72' ' ' LEU . 54.2 Cg_endo -69.72 130.71 19.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.4 m -119.56 179.18 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -116.7 -22.3 8.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.3 mmt-85 -130.28 143.55 49.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.622 0.725 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -23.0 31.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.388 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.92 HG12 ' HB2' ' A' ' 133' ' ' PHE . 35.4 m -139.61 167.88 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.45 110.15 2.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.6 mmt -40.56 -57.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -38.69 -44.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.2 m -66.75 -49.97 64.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.487 HD11 ' O ' ' A' ' 144' ' ' ALA . 4.3 tp -56.82 -51.93 67.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -62.57 -23.58 67.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.3 t -71.11 -42.85 68.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.2 -49.79 58.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.5 mt -50.89 -55.97 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -60.49 -35.69 76.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.413 ' O ' HG22 ' A' ' 92' ' ' THR . 3.1 m120 -58.9 -56.34 23.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 90' ' ' LEU . 1.6 mm? -70.56 -29.04 65.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.5 mtp -64.37 -34.83 79.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 89' ' ' ASN . 4.0 t -91.69 -20.13 21.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.141 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.3 m -69.24 -52.83 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.8 m -119.0 -179.01 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.4 m -96.2 170.43 9.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.532 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 72.2 tttt -64.54 -36.82 85.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.94 -36.17 31.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -49.5 -25.06 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.532 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 7.9 m0 -73.82 115.66 44.36 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.533 0.682 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 145.5 57.24 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.6 m -71.33 142.32 50.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 30.9 m -152.29 143.54 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -93.23 126.57 38.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.549 ' SD ' HG22 ' A' ' 113' ' ' VAL . 24.0 tpp -96.1 136.71 36.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -110.57 147.85 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.604 HG12 ' O ' ' A' ' 106' ' ' VAL . 18.0 t -133.86 27.57 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 1.107 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -70.66 143.9 51.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.6 t70 46.14 48.69 12.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.521 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 44.53 36.87 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.599 HG23 ' HG2' ' A' ' 127' ' ' ARG . 98.3 m -120.93 141.47 50.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.1 t -103.47 118.84 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.9 m -133.65 103.08 5.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.549 HG22 ' SD ' ' A' ' 104' ' ' MET . 87.3 t -71.37 93.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.3 mm -83.25 154.14 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.2 t -77.55 165.58 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.42 -34.33 15.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -67.3 -33.41 75.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -140.71 162.41 35.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -101.36 -12.55 18.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -103.42 19.11 20.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -106.74 78.32 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.49 103.79 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.11 -43.88 32.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 80.4 t -137.26 126.54 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -114.32 94.22 4.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.8 t -121.44 155.17 35.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.599 ' HG2' HG23 ' A' ' 110' ' ' THR . 38.5 mtt180 -127.77 173.07 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 109' ' ' ALA . 17.7 m -73.3 -20.42 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -74.36 -21.9 59.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -103.78 -19.91 14.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.531 HD22 ' HE2' ' A' ' 134' ' ' MET . 2.4 tt -66.24 125.75 26.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.425 ' N ' HD23 ' A' ' 131' ' ' LEU . 8.0 m -97.6 -63.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.92 ' HB2' HG12 ' A' ' 78' ' ' VAL . 13.6 t80 -125.9 152.68 45.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.531 ' HE2' HD22 ' A' ' 131' ' ' LEU . 2.5 ptt? -158.82 107.89 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.412 ' O ' HD21 ' A' ' 83' ' ' LEU . . . -135.55 -174.07 13.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.468 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.3 t -121.71 134.01 66.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 111.094 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -68.53 -169.63 5.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -49.29 -44.9 44.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -87.29 153.89 21.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.847 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.712 ' HB ' HD13 ' A' ' 18' ' ' LEU . 13.1 m -85.97 8.26 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.525 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 7.4 m80 -113.05 14.07 19.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 3.5 p -122.57 109.37 14.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -121.35 129.42 53.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.487 ' O ' HD11 ' A' ' 83' ' ' LEU . . . -139.05 148.15 42.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 10.7 p90 -140.9 137.02 32.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.4 mt -101.0 123.63 54.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.6 ptm -115.48 169.05 9.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -109.74 125.12 52.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 59.8 p -104.01 -39.77 6.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -125.93 -138.27 4.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -75.96 -66.37 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -118.09 15.92 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -88.25 129.2 35.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -128.38 133.48 48.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -113.7 117.16 30.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.22 110.98 22.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -106.1 133.09 51.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.595 HG12 HD13 ' A' ' 69' ' ' LEU . 58.6 t -112.77 144.05 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -144.64 139.7 28.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.525 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 16.5 t-105 -92.66 120.17 32.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 34.5 m -105.35 157.53 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.545 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 35.3 mt-10 -151.59 150.53 26.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.89 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.4 Cg_endo -69.71 0.5 5.68 Favored 'Cis proline' 0 C--N 1.34 0.129 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.331 -0.051 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.482 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 32.4 p30 -164.69 179.04 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.522 ' C ' HD21 ' A' ' 18' ' ' LEU . . . -103.58 29.17 5.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -83.2 -60.01 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -54.23 -24.18 17.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 88.9 t -86.18 -62.86 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 79.9 p -53.37 -32.16 48.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -76.4 -50.91 12.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.26 89.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.13 -38.64 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' GLN . . . . . 0.436 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 29.9 tt0 -59.57 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.85 -43.2 38.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.521 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -44.36 -50.85 8.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.081 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 79.9 m . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.887 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -145.67 144.59 30.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 p -97.99 108.43 21.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.19 125.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 p -83.53 99.84 10.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.36 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 t -146.59 162.43 38.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.48 -71.03 0.38 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 66.23 49.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.97 154.45 49.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 51.52 44.03 29.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.046 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.2 p -77.22 141.72 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 t -78.54 141.92 61.36 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.554 0.692 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -0.32 6.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -89.23 -28.1 20.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -84.49 -30.17 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -50.78 -50.31 56.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -73.38 -49.82 25.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.785 HD11 ' HB2' ' A' ' 166' ' ' ALA . 16.6 mt -51.69 -22.21 3.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.1 m -63.79 -39.81 95.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' CG ' ' N ' ' A' ' 21' ' ' MET . 0.1 OUTLIER -69.62 -42.03 74.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.403 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 24.0 mmm -61.32 -30.83 70.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -82.9 -27.46 30.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -75.85 -68.55 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -102.86 -64.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.63 -146.24 17.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -147.5 117.41 7.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 110.949 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -102.64 107.76 18.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -64.57 111.33 5.44 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.667 0.746 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.438 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 53.9 Cg_endo -69.68 -43.18 2.88 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.722 2.281 . . . . 0.0 112.365 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.2 m -45.7 -42.39 11.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -55.9 -33.26 64.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 29' ' ' PRO . 32.4 pttt -98.41 28.37 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -122.53 -34.99 3.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -99.24 -47.36 5.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -66.91 -43.5 83.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -114.13 97.12 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -154.94 178.03 10.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 39' ' ' ASN . 9.6 tp-100 -51.43 127.92 21.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 38' ' ' GLN . 12.3 m-20 -35.49 103.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.5 p -96.06 139.85 31.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.94 162.61 36.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.5 p -138.88 135.39 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 110.823 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 m -133.64 119.93 20.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.55 -47.38 2.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.51 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 t -114.15 -46.26 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.378 . . . . 0.0 110.866 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.0 p -169.42 139.3 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -126.46 150.75 17.84 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.5 t -154.41 155.78 35.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -141.75 148.97 39.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.826 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.42 96.98 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.8 p -122.9 168.73 11.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 m -128.22 170.88 12.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.817 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.38 130.9 10.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 147.69 63.68 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.359 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 p -52.3 149.38 10.18 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.573 0.702 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 96.77 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -103.35 88.2 3.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 50.0 m -158.03 129.02 6.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -76.11 -52.75 9.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.34 117.85 9.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.696 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.7 p -151.32 136.4 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -105.06 131.93 51.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.79 123.05 42.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -115.04 153.23 31.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 65' ' ' ARG . 15.5 ttm105 -105.86 97.86 7.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 161' ' ' CYS . 27.5 m -124.17 160.93 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -99.36 154.02 18.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.48 128.78 45.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.973 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mp -93.71 -51.03 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 146.48 166.4 12.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.457 ' SD ' ' CD ' ' A' ' 155' ' ' GLU . 11.1 ttp -87.72 142.39 27.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.71 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -140.43 127.04 12.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.568 0.699 . . . . 0.0 110.944 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.71 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.4 Cg_endo -69.78 152.27 69.17 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.706 2.27 . . . . 0.0 112.334 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.467 HG13 ' HB2' ' A' ' 156' ' ' CYS . 28.8 m -136.51 174.25 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -111.39 -18.22 12.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -131.42 143.25 48.45 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 154' ' ' PHE . 53.5 Cg_endo -69.73 -23.74 30.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.622 2.215 . . . . 0.0 112.366 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.693 HG12 ' HB2' ' A' ' 133' ' ' PHE . 15.6 m -138.3 175.62 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.7 124.97 4.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.6 mmt -54.9 -62.4 1.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -42.51 -42.98 3.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.3 m -63.91 -39.46 94.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.45 -62.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -44.94 -30.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.7 t -56.74 -44.54 81.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.03 -50.43 62.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 71.6 mt -51.22 -56.6 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.53 -34.93 73.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.414 ' O ' HG22 ' A' ' 92' ' ' THR . 2.9 m120 -60.02 -59.12 5.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 72' ' ' LEU . 1.9 mm? -66.22 -38.36 87.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.6 mtp -51.7 -47.77 63.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 89' ' ' ASN . 3.8 t -80.37 -18.85 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.0 t -69.29 -54.57 13.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.0 m -119.95 -177.66 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.415 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 28.8 m -95.04 168.59 10.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.817 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.528 ' HA ' ' CH2' ' A' ' 99' ' ' TRP . 72.7 tttt -67.08 -33.43 75.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -87.07 -29.64 21.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -57.07 -23.51 47.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.535 ' CZ3' ' CE3' ' A' ' 160' ' ' TRP . 10.5 m0 -68.53 120.17 73.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.55 0.69 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 140.87 43.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.636 2.224 . . . . 0.0 112.325 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.1 m -72.49 137.93 46.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 66' ' ' VAL . 18.7 m -145.16 155.34 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -102.73 125.67 49.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 48.7 ttm -96.35 132.88 41.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -109.63 140.16 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.6 41.75 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.696 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -86.6 149.21 25.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.5 t0 47.61 42.6 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.491 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 48.59 30.26 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.6 m -118.0 144.54 45.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.8 t -101.56 129.4 52.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.531 HG23 HG13 ' A' ' 122' ' ' VAL . 9.7 m -143.94 106.63 4.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.578 HG12 HD12 ' A' ' 123' ' ' LEU . 49.0 t -76.29 93.6 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 9.2 mm -82.25 152.35 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.2 t -87.73 131.49 34.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.86 -42.45 84.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -59.59 -42.08 91.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -131.44 120.33 22.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -66.32 -33.55 75.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -87.89 37.11 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -127.09 101.87 6.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.531 HG13 HG23 ' A' ' 112' ' ' THR . 55.7 t -90.72 88.51 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.578 HD12 HG12 ' A' ' 113' ' ' VAL . 8.9 mt -56.44 -37.71 70.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 77.5 t -149.93 127.86 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.427 ' HB2' HG11 ' A' ' 122' ' ' VAL . 32.4 tt0 -113.12 103.25 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.07 149.99 48.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -113.46 176.15 5.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 109' ' ' ALA . 8.8 m -81.33 -19.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -78.38 -24.24 46.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -91.89 -24.5 19.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.675 HD22 ' HE2' ' A' ' 134' ' ' MET . 2.6 tt -58.33 126.75 28.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 78.4 p -96.81 -55.91 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.693 ' HB2' HG12 ' A' ' 78' ' ' VAL . 29.6 t80 -137.03 149.06 47.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.675 ' HE2' HD22 ' A' ' 131' ' ' LEU . 2.7 ptp -150.61 120.48 7.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -150.69 -170.8 18.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.1 143.98 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 111.174 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -78.61 -169.59 36.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -50.38 -34.14 23.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.76 159.74 14.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 31.5 m -88.11 -1.45 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.448 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 22.9 m80 -106.88 9.66 30.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.01 109.22 15.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -122.49 132.58 54.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -137.57 149.18 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.452 ' C ' ' CD1' ' A' ' 145' ' ' PHE . 6.6 p90 -138.63 143.25 39.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 56.8 mt -105.77 128.02 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.9 ptm -118.86 161.49 20.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -98.98 108.27 20.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 81.9 p -83.17 -43.53 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -119.21 -145.3 7.6 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -72.24 -56.19 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.758 0.313 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -124.02 11.4 8.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -83.45 133.55 34.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.561 ' CE2' ' HD3' ' A' ' 77' ' ' PRO . 1.4 m-85 -123.36 122.07 37.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.457 ' CD ' ' SD ' ' A' ' 71' ' ' MET . 3.1 tp10 -105.35 124.08 48.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' CYS . . . . . 0.467 ' HB2' HG13 ' A' ' 74' ' ' VAL . 1.8 t -97.99 131.83 44.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' HIS . . . . . 0.517 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 72.0 m-70 -129.11 132.6 47.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 13.6 t -111.18 150.41 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 36.3 m-85 -150.84 144.48 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.535 ' CE3' ' CZ3' ' A' ' 99' ' ' TRP . 25.8 t-105 -95.15 121.85 37.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.497 ' HA ' HG12 ' A' ' 66' ' ' VAL . 28.0 m -102.98 159.91 15.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.547 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 50.1 mt-10 -157.12 148.05 16.48 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.4 Cg_endo -69.79 1.05 5.52 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.329 0.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.514 ' OD1' ' ND2' ' A' ' 167' ' ' ASN . 5.1 p-10 -168.16 170.55 10.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -83.36 -13.32 55.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.07 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.785 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -51.34 -43.78 61.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.074 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' ASN . . . . . 0.514 ' ND2' ' OD1' ' A' ' 164' ' ' ASN . 1.3 m-80 -60.74 -58.6 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 169' ' ' SER . 74.1 t -65.49 -69.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 168' ' ' VAL . 66.3 p -35.32 -34.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 168' ' ' VAL . 7.2 tp10 -74.98 -52.44 11.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.58 -34.44 58.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 92.5 t -72.63 -52.81 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -47.64 -46.25 28.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.16 94.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -52.63 -46.28 66.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.896 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 p -161.17 122.74 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.941 0.4 . . . . 0.0 110.831 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -97.97 132.35 43.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.71 104.92 3.21 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -87.9 131.85 34.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.894 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -100.68 -61.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.54 -80.17 0.36 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -44.8 164.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.97 35.37 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.76 50.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.428 ' HB ' ' NH2' ' A' ' 16' ' ' ARG . 86.9 t -43.45 137.1 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.406 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -88.45 146.86 38.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.564 0.697 . . . . 0.0 111.15 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -2.39 10.11 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.334 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -96.63 -21.52 17.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.6 -25.34 18.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.428 ' NH2' ' HB ' ' A' ' 11' ' ' VAL . 19.2 mmt180 -50.18 -40.41 46.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -82.2 -58.83 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.524 HD13 ' HB ' ' A' ' 140' ' ' VAL . 15.7 mt -45.6 -28.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -51.2 -49.97 59.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.8 pttt -47.32 -34.74 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.2 mtp -75.52 -41.31 55.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -70.13 -21.88 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -87.44 -53.99 4.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -114.54 -61.31 1.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.69 -151.86 17.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.552 ' CE2' ' HG2' ' A' ' 173' ' ' GLN . 1.2 t80 -141.01 114.25 8.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -104.09 107.91 19.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 45.1 t-20 -72.78 113.19 19.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.605 0.717 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -44.53 1.98 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.649 2.232 . . . . 0.0 112.335 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.4 m -40.16 -42.7 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -48.37 -43.51 33.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -42.3 95.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -74.82 -27.05 60.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -65.21 -42.61 93.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -46.09 -58.27 3.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -85.23 91.71 8.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' GLN . 43.7 tpp -99.22 -25.67 14.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 37' ' ' MET . 2.6 mp0 36.65 42.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -61.48 114.45 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 t 44.54 43.46 6.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.0 82.44 0.3 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -62.95 105.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.6 m 51.48 45.38 28.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.83 125.83 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.2 p -57.94 135.67 56.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.0 p -160.55 161.55 32.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.01 -92.94 0.21 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.4 t 52.37 39.5 27.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 110.883 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 m -86.25 166.47 15.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.19 -133.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.1 m -110.06 170.66 7.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.6 t -87.7 140.8 29.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.68 171.57 47.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -178.05 2.16 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.364 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.3 p -109.04 135.16 20.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.603 0.716 . . . . 0.0 111.121 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 176.09 7.24 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.258 . . . . 0.0 112.321 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm -78.72 148.27 33.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 60' ' ' LEU . 88.8 m -135.28 113.68 11.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.124 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -71.26 -51.01 26.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.503 ' O ' HG22 ' A' ' 58' ' ' THR . 16.9 tp -79.23 129.43 34.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.767 HG23 ' HB2' ' A' ' 107' ' ' ALA . 3.5 p -163.81 146.87 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -119.93 139.93 51.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -127.81 115.9 19.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -113.45 138.6 49.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -87.78 105.48 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.8 m -129.04 172.99 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -112.34 149.72 32.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -96.0 129.93 43.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.429 HD22 ' CG1' ' A' ' 158' ' ' VAL . 3.1 mp -98.35 -53.15 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 143.28 163.96 10.04 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.536 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.432 ' HB2' ' CE1' ' A' ' 157' ' ' HIS . 14.5 ttp -84.71 146.21 27.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.716 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -137.53 128.28 15.92 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.917 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.716 ' HD2' HD13 ' A' ' 72' ' ' LEU . 54.5 Cg_endo -69.7 122.98 9.67 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.349 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.7 m -109.51 168.29 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -100.32 -25.23 14.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -134.24 144.71 52.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.576 0.703 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -23.01 31.05 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.715 HG12 ' HB2' ' A' ' 133' ' ' PHE . 29.7 m -132.15 161.65 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.16 122.73 2.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.8 mmt -61.05 -45.22 95.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.779 0.323 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.45 -19.41 47.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.5 m -88.54 -37.92 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 tp -69.43 -55.58 9.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -50.0 -30.52 10.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.2 t -60.91 -37.37 82.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.66 -47.91 57.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.459 ' O ' ' CG ' ' A' ' 91' ' ' MET . 77.7 mt -53.05 -56.42 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.73 -33.23 71.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -60.59 -70.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.589 ' CD2' HD23 ' A' ' 72' ' ' LEU . 3.9 mm? -57.11 -32.18 66.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 87' ' ' ILE . 40.6 mmm -60.38 -32.59 71.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.4 p -87.82 -40.7 13.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.2 m -59.32 -50.8 72.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.2 m -120.4 169.63 10.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.9 m -105.41 179.18 4.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.579 ' HD2' ' CZ3' ' A' ' 99' ' ' TRP . 17.0 tptp -66.39 -36.13 82.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -73.83 -20.05 60.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -77.38 -29.36 53.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.579 ' CZ3' ' HD2' ' A' ' 96' ' ' LYS . 10.4 m0 -69.03 111.78 9.54 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.698 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 138.5 38.06 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.266 . . . . 0.0 112.334 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 m -67.33 127.3 32.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 31.6 m -135.47 149.07 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -96.56 120.35 36.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.7 ttm -89.71 133.48 34.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -112.54 139.12 48.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' ' 106' ' ' VAL . 9.6 t -129.15 44.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.767 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -89.89 148.27 23.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 t70 49.25 39.48 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.686 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 52.65 30.49 8.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.552 HG23 ' CG ' ' A' ' 127' ' ' ARG . 28.6 m -117.78 142.64 47.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.6 t -106.31 113.87 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 99.0 m -128.16 119.18 24.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.86 99.45 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 13.7 mm -90.32 150.64 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -81.72 124.04 29.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.81 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.401 ' O ' ' CD ' ' A' ' 116' ' ' GLU . 1.7 tm-20 -54.32 -20.25 6.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.04 -45.31 34.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -141.79 136.41 30.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.4 -43.48 81.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 0.6 OUTLIER -62.23 -19.59 63.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -75.73 85.91 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 122' ' ' VAL . 0.3 OUTLIER -88.83 91.27 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.153 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.41 -67.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 90.8 t -117.02 144.94 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -133.23 95.2 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.2 t -117.32 163.87 15.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.552 ' CG ' HG23 ' A' ' 110' ' ' THR . 17.9 mtt-85 -128.9 173.74 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 109' ' ' ALA . 30.9 m -78.7 -33.15 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.1 mtt-85 -62.07 -33.67 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -87.69 -26.94 22.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.765 HD21 ' HB3' ' A' ' 134' ' ' MET . 2.0 tt -53.39 121.29 7.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 88.9 p -92.39 -61.0 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.715 ' HB2' HG12 ' A' ' 78' ' ' VAL . 52.0 t80 -133.97 146.12 50.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.765 ' HB3' HD21 ' A' ' 131' ' ' LEU . 3.5 ptp -150.74 116.15 5.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -144.27 -173.56 15.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.4 t -122.33 145.57 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 111.135 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -79.11 -169.91 37.98 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -48.02 -44.64 31.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.762 0.315 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -89.41 146.3 24.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.524 ' HB ' HD13 ' A' ' 18' ' ' LEU . 30.4 m -85.27 18.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 13.3 m80 -117.78 13.93 14.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 71.2 p -132.69 112.08 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -117.42 128.2 54.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -131.3 148.47 52.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 6.7 p90 -140.01 134.18 31.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.3 mt -99.86 123.91 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.8 ptm -111.16 170.58 8.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -110.43 119.44 39.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 59.0 p -104.45 -45.02 4.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -115.08 -140.31 7.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -82.71 -61.39 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -117.86 11.63 13.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -87.89 138.03 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -137.08 133.72 35.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -110.96 125.02 53.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 6.2 t -104.37 108.71 20.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' HIS . . . . . 0.432 ' CE1' ' HB2' ' A' ' 71' ' ' MET . 87.2 m-70 -104.1 126.59 51.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.429 ' CG1' HD22 ' A' ' 69' ' ' LEU . 41.6 t -102.72 144.34 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -143.57 142.68 31.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.578 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 30.3 t-105 -98.07 131.17 44.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 66.1 m -116.21 158.96 22.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.554 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 54.1 mt-10 -148.69 146.6 22.49 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.65 0.738 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.1 Cg_endo -69.75 1.5 5.27 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.638 -1.817 . . . . 0.0 112.379 -0.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 164' ' ' ASN . 6.2 p-10 -171.81 173.43 4.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -94.62 27.04 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.499 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -74.87 -56.3 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.058 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -55.48 -52.99 61.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 94.2 t -58.04 -63.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 82.4 p -44.2 -45.64 8.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.31 -42.22 93.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -60.54 -44.07 96.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.069 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 175' ' ' ALA . 96.3 t -65.79 -37.37 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 173' ' ' GLN . . . . . 0.552 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 4.3 mt-30 -55.07 -63.5 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.67 -42.37 34.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 172' ' ' VAL . . . -41.19 -48.79 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 64.8 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.919 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.519 ' CD2' HG21 ' A' ' 136' ' ' VAL . 24.2 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.808 0.337 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 t -59.3 -60.37 3.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -54.43 -30.96 54.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.461 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 10.0 mtp -67.78 -42.14 82.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -73.13 -27.26 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -70.95 -65.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.401 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -103.42 -60.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.05 -149.73 17.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.478 ' CE1' ' SG ' ' A' ' 176' ' ' CYS . 2.3 t80 -143.99 108.16 4.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 110.933 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.531 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 21.7 mp0 -104.65 122.42 45.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 32.4 t-20 -65.17 123.16 83.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -41.12 4.59 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.3 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.784 HG23 ' HB2' ' A' ' 107' ' ' ALA . 8.1 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.817 0.341 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -120.27 133.11 55.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.02 124.51 50.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -120.44 130.54 54.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -80.78 106.17 12.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.0 m -132.24 169.57 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -105.82 159.85 15.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -106.68 131.07 54.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.635 HD22 HG11 ' A' ' 158' ' ' VAL . 4.8 mp -99.64 -39.95 8.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.35 172.1 13.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.5 ' HG3' ' CE1' ' A' ' 157' ' ' HIS . 18.8 ttp -89.87 146.99 24.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.486 HD22 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -141.57 124.24 9.49 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.611 0.719 . . . . 0.0 110.879 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.486 ' HD2' HD22 ' A' ' 72' ' ' LEU . 53.4 Cg_endo -69.75 137.2 34.92 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.292 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.0 m -120.69 177.99 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -107.87 -22.48 12.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -134.86 146.78 60.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -25.64 28.26 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.832 HG12 ' HB2' ' A' ' 133' ' ' PHE . 21.9 m -133.6 168.79 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.16 103.49 2.18 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.464 ' HA ' ' CE ' ' A' ' 80' ' ' MET . 2.8 mmt -41.68 -57.52 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.751 0.31 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -42.78 -42.68 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -62.95 -49.33 75.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.48 -54.48 46.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -48.64 -26.84 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 t -67.55 -45.48 75.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.41 77.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.4 HG22 ' SD ' ' A' ' 91' ' ' MET . 43.7 mt -53.08 -53.95 19.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.23 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -62.71 -58.24 8.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 90' ' ' LEU . 4.3 mm? -66.93 -51.44 55.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.4 ' SD ' HG22 ' A' ' 87' ' ' ILE . 58.0 mtp -40.05 -43.34 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.8 p -73.41 -37.1 66.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.4 t -64.58 -51.03 64.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.1 m -119.3 151.79 37.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.474 ' O ' ' CE2' ' A' ' 99' ' ' TRP . 3.6 m -81.1 174.21 11.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.55 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 75.4 tttt -62.64 -38.4 90.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -81.82 -34.73 30.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -52.73 -29.75 28.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.55 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 7.5 m0 -68.39 121.37 80.34 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.546 0.688 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 167.53 24.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t -93.53 143.15 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 34.6 m -153.45 146.94 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -98.19 126.33 43.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 50.2 ttm -96.23 128.56 43.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -105.62 132.1 52.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 106' ' ' VAL . 11.4 t -118.99 48.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.784 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -92.58 146.91 23.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.068 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.1 t70 46.27 49.0 13.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 175' ' ' ALA . . . 43.69 31.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.073 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.66 HG23 ' CD ' ' A' ' 127' ' ' ARG . 86.7 m -119.5 142.7 48.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.9 t -104.85 121.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.472 ' CG2' HG13 ' A' ' 122' ' ' VAL . 15.2 m -133.53 104.42 6.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.671 HG12 HD12 ' A' ' 123' ' ' LEU . 62.3 t -69.52 95.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 25.0 mm -84.0 146.86 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.619 ' HA ' HD11 ' A' ' 123' ' ' LEU . 1.2 t -76.72 136.13 39.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -66.53 -38.14 86.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -68.22 -36.25 79.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -135.55 123.82 23.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -67.29 -42.57 83.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.81 41.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -134.29 86.41 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.472 HG13 ' CG2' ' A' ' 112' ' ' THR . 53.9 t -72.2 99.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.671 HD12 HG12 ' A' ' 113' ' ' VAL . 9.4 mt -64.7 -45.44 86.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 52.9 t -145.37 135.89 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -117.91 110.5 17.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 4.6 t -126.14 147.55 49.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.66 ' CD ' HG23 ' A' ' 110' ' ' THR . 4.8 mmt85 -118.48 142.22 47.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.597 HG11 ' C ' ' A' ' 175' ' ' ALA . 6.9 m -51.05 -23.94 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -65.68 -47.14 76.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -73.54 -32.17 64.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.593 HD21 ' HB3' ' A' ' 134' ' ' MET . 2.7 tt -50.01 125.58 12.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 63.3 p -100.74 -57.5 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.832 ' HB2' HG12 ' A' ' 78' ' ' VAL . 18.3 t80 -134.59 153.64 51.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.593 ' HB3' HD21 ' A' ' 131' ' ' LEU . 5.7 ptp -161.52 129.99 4.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -164.24 -175.57 35.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.519 HG21 ' CD2' ' A' ' 18' ' ' LEU . 60.2 t -107.55 136.32 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 111.169 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -75.86 -154.61 5.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -59.97 -40.61 89.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -91.89 152.25 20.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 31.3 m -80.27 -10.36 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 3.9 m80 -102.19 19.06 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.2 p -124.46 106.74 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -124.75 128.42 48.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.432 ' HB2' HG22 ' A' ' 158' ' ' VAL . . . -133.63 152.05 51.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.504 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 27.7 p90 -138.71 129.98 27.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.413 ' CG2' ' HB3' ' A' ' 154' ' ' PHE . 58.9 mt -96.0 132.96 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.3 ptm -120.93 171.71 8.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -114.68 111.31 21.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.421 HG21 ' OE2' ' A' ' 155' ' ' GLU . 14.5 p -90.61 -4.37 56.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 104.95 163.79 24.01 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 61.67 37.11 16.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 56.44 36.28 27.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -109.89 134.69 51.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.413 ' HB3' ' CG2' ' A' ' 146' ' ' ILE . 4.2 m-85 -128.37 128.86 45.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.441 ' CD ' ' SD ' ' A' ' 71' ' ' MET . 84.3 mt-10 -111.51 117.89 34.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 11.9 t -94.31 109.79 21.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' HIS . . . . . 0.5 ' CE1' ' HG3' ' A' ' 71' ' ' MET . 89.2 m-70 -102.31 127.76 49.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.635 HG11 HD22 ' A' ' 69' ' ' LEU . 51.1 t -103.38 145.7 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 0.455 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 44.0 m-85 -144.62 136.35 25.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 25.4 t-105 -92.9 122.01 34.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.668 ' SG ' HG21 ' A' ' 168' ' ' VAL . 77.4 m -111.92 151.68 28.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.552 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 16.6 mm-40 -141.91 151.42 59.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.649 0.738 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.0 Cg_endo -69.74 0.17 5.86 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.374 -0.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.482 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 4.5 p30 -168.57 174.95 6.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -97.8 29.69 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.139 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -79.58 -45.08 19.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.23 -67.02 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.668 HG21 ' SG ' ' A' ' 161' ' ' CYS . 91.3 t -38.94 -68.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.4 t -45.67 -57.62 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . 0.412 ' HA ' ' CG ' ' A' ' 173' ' ' GLN . 13.6 tt0 -45.55 -52.36 10.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -57.54 -30.75 65.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . 0.426 ' O ' ' HB3' ' A' ' 175' ' ' ALA . 93.4 t -78.07 -20.13 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . 0.412 ' CG ' ' HA ' ' A' ' 170' ' ' GLU . 14.2 mm-40 -57.53 -58.29 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.46 -24.98 66.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.608 ' O ' ' HB1' ' A' ' 109' ' ' ALA . . . -52.72 -37.22 58.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' CYS . . . . . 0.478 ' SG ' ' CE1' ' A' ' 26' ' ' TYR . 98.4 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.799 HD11 ' HB2' ' A' ' 166' ' ' ALA . 22.2 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.854 0.359 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -62.22 -58.27 8.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -32.21 32.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 mtt -65.52 -36.58 84.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -83.21 -12.7 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -92.8 -59.58 2.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -111.71 -58.96 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.73 -168.96 13.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -133.14 112.65 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.903 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.557 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 19.5 mp0 -102.93 125.39 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 19.5 t-20 -56.45 127.87 72.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.685 0.755 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -34.72 14.03 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.719 2.279 . . . . 0.0 112.355 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.8 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.659 HG22 ' HB2' ' A' ' 107' ' ' ALA . 55.3 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.831 0.348 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -101.42 133.12 46.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -126.06 115.25 19.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -110.94 128.54 55.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -81.48 105.93 13.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.9 m -132.64 179.89 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -113.36 159.66 19.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.576 ' CE2' HG11 ' A' ' 113' ' ' VAL . 0.5 OUTLIER -108.77 129.05 55.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 -179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.546 HD22 HG11 ' A' ' 158' ' ' VAL . 5.0 mp -98.76 -49.34 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 138.3 163.62 9.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.472 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 11.6 tmm? -84.18 138.67 32.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.545 HD22 ' HD2' ' A' ' 73' ' ' PRO . 0.5 OUTLIER -131.05 125.13 20.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.545 ' HD2' HD22 ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.77 133.87 26.6 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.347 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.3 m -120.59 -178.76 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -108.65 -28.94 8.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -126.58 144.32 49.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.667 0.746 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -23.61 30.62 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.563 HG12 ' HB2' ' A' ' 133' ' ' PHE . 25.2 m -132.15 170.84 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.26 128.57 4.44 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.49 -47.89 79.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -54.41 -21.47 9.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.0 m -87.14 -34.28 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.411 HD21 ' O ' ' A' ' 135' ' ' GLY . 3.6 tp -68.3 -62.82 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -50.55 -27.05 5.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.489 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 8.7 t -62.08 -47.09 86.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.15 72.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.8 mt -52.87 -55.12 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.84 -35.01 77.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 85' ' ' SER . 18.6 m-20 -59.19 -54.34 48.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.431 ' CD2' ' HB2' ' A' ' 72' ' ' LEU . 1.8 mm? -70.07 -40.68 74.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 56.6 mmm -51.08 -48.01 61.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 58.0 p -73.97 -23.91 59.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.9 m -67.25 -53.82 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.0 m -120.74 -177.38 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t -99.92 169.24 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.463 ' HA ' ' CE2' ' A' ' 99' ' ' TRP . 27.0 tttt -64.06 -27.69 69.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -81.74 -45.41 15.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -44.8 -35.53 2.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.463 ' CE2' ' HA ' ' A' ' 96' ' ' LYS . 11.4 m0 -56.65 109.68 1.86 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.562 0.696 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.6 40.59 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -67.58 139.25 56.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 28.5 m -148.06 145.26 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -94.07 121.7 35.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 46.3 ttm -88.24 129.22 35.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -105.96 135.78 46.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -128.11 41.24 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.659 ' HB2' HG22 ' A' ' 61' ' ' VAL . . . -87.75 152.21 22.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.3 t70 46.57 40.3 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.511 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 50.9 34.63 10.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.057 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.0 m -125.05 142.16 51.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.088 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.6 t -103.75 118.84 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 51.9 m -131.38 107.45 8.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.576 HG11 ' CE2' ' A' ' 68' ' ' TYR . 84.5 t -72.43 97.71 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.9 mm -90.49 141.96 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.678 ' OG ' HD11 ' A' ' 123' ' ' LEU . 2.0 m -70.89 170.03 13.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -93.42 -22.32 18.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -68.61 -36.3 78.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -147.04 166.06 27.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -95.78 -21.77 17.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -95.31 24.71 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.478 ' OE1' ' CB ' ' A' ' 115' ' ' SER . 15.4 tt0 -103.87 76.85 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 122' ' ' VAL . 0.8 OUTLIER -70.61 88.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.678 HD11 ' OG ' ' A' ' 115' ' ' SER . 33.5 mt -66.55 -61.54 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.484 HG21 ' OH ' ' A' ' 68' ' ' TYR . 79.4 t -127.9 126.45 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -110.86 97.31 6.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.436 ' C ' ' HD2' ' A' ' 127' ' ' ARG . 5.7 t -113.04 150.28 32.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.436 ' HD2' ' C ' ' A' ' 126' ' ' CYS . 1.4 mpt_? -121.26 154.18 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.453 HG23 ' HD2' ' A' ' 129' ' ' ARG . 11.7 m -66.26 -36.67 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.486 ' H ' ' CD ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -67.68 -22.81 65.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -94.66 -21.92 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 132' ' ' SER . 2.1 tt -56.57 152.56 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.601 ' N ' HD23 ' A' ' 131' ' ' LEU . 43.9 p -115.78 -51.67 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.563 ' HB2' HG12 ' A' ' 78' ' ' VAL . 11.6 t80 -143.46 155.94 44.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.413 ' HE2' HD22 ' A' ' 131' ' ' LEU . 3.0 ptp -157.61 113.0 2.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.411 ' O ' HD21 ' A' ' 83' ' ' LEU . . . -142.16 179.14 20.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 91.9 t -109.66 146.2 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.906 0.384 . . . . 0.0 111.123 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -78.76 -151.21 5.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -65.75 -36.86 84.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.327 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.47 156.13 19.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 165' ' ' ALA . 17.4 m -76.87 4.5 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 15.0 m80 -105.66 13.26 30.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.433 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 2.9 p -125.57 108.41 11.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -120.92 131.92 54.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -141.78 152.0 43.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 9.2 p90 -145.05 140.42 28.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 51.3 mt -100.73 130.34 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 10.8 ptm -119.54 150.35 40.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -96.89 113.44 24.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.618 HG21 ' OE2' ' A' ' 155' ' ' GLU . 39.9 p -86.32 -46.73 10.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 153.02 163.75 11.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 59.02 41.67 20.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 56.86 40.89 28.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -110.77 138.9 46.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -130.6 120.04 23.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.618 ' OE2' HG21 ' A' ' 149' ' ' THR . 34.3 mt-10 -105.61 124.64 49.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.8 t -100.44 112.96 25.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' HIS . . . . . 0.52 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 94.2 m-70 -103.1 131.2 50.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.546 HG11 HD22 ' A' ' 69' ' ' LEU . 52.6 t -108.99 147.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 30.0 m-85 -150.01 132.12 15.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.561 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 33.1 t-105 -86.93 122.98 31.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.36 154.66 25.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.542 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 49.7 mt-10 -153.48 153.76 29.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.599 0.714 . . . . 0.0 110.91 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.5 Cg_endo -69.8 -1.98 6.97 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.292 0.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 164' ' ' ASN . 4.2 p-10 -160.77 170.75 20.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -100.57 22.29 12.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.799 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -73.7 -52.04 14.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -61.22 -48.89 79.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.7 -62.39 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 49.7 m -49.64 -44.08 47.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -64.24 -42.95 96.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -64.05 -33.19 75.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 94.0 t -78.45 -35.26 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -71.54 -51.85 21.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -55.27 -41.57 72.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.511 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -50.61 -48.59 57.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 85.1 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.902 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.455 HD13 ' HB ' ' A' ' 140' ' ' VAL . 20.1 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.762 0.315 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 22' ' ' GLN . 4.2 m -51.43 -71.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.3 -32.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.1 mmm -76.4 -35.46 58.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 19' ' ' SER . 45.2 mt-30 -77.07 -15.3 59.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -87.67 -62.57 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -107.31 -51.4 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.96 -161.21 14.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -132.15 111.96 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.926 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.551 ' OE1' HG11 ' A' ' 78' ' ' VAL . 27.1 mt-10 -98.9 108.73 21.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 14.8 t-20 -59.96 112.17 5.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.74 30.45 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.386 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.554 HG21 ' HD2' ' A' ' 129' ' ' ARG . 94.7 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.49 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.3 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.736 0.303 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -106.58 126.51 52.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -117.08 116.76 27.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -111.71 140.59 46.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -93.63 93.03 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.1 m -119.16 -175.73 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -118.82 163.34 17.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.438 ' CD2' HG11 ' A' ' 113' ' ' VAL . 0.5 OUTLIER -109.57 128.77 55.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.673 HD22 ' CG1' ' A' ' 158' ' ' VAL . 5.5 mp -97.96 -52.49 3.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.59 166.76 10.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.521 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.49 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 10.1 tmm? -85.6 148.84 25.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.7 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -141.08 127.89 11.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.632 0.729 . . . . 0.0 110.864 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.7 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.82 124.87 11.48 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.31 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 m -104.88 177.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -97.89 -33.73 11.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -134.03 161.07 65.97 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.567 0.699 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -21.45 33.29 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.653 2.235 . . . . 0.0 112.374 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.714 HG12 ' HB2' ' A' ' 133' ' ' PHE . 33.2 m -137.56 170.21 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.19 113.77 2.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.3 mmt -55.83 -51.62 66.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -50.86 -32.64 20.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.6 m -74.91 -45.65 41.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.63 -53.34 59.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -49.19 -30.81 7.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.459 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 9.2 t -64.64 -43.03 94.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.6 -50.06 74.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.431 ' HA ' HG21 ' A' ' 158' ' ' VAL . 49.4 mt -54.34 -55.18 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.582 ' O ' HG23 ' A' ' 92' ' ' THR . 27.7 mt-10 -63.26 -35.07 79.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 85' ' ' SER . 20.7 m-20 -54.19 -62.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 93' ' ' SER . 3.2 mm? -63.26 -49.71 73.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 49.7 mmm -38.19 -52.23 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 88' ' ' GLU . 20.8 p -70.59 -30.57 67.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' LEU . 47.5 m -65.56 -53.01 48.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.7 m -121.09 152.17 38.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.4 p -75.89 164.52 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.504 ' HG3' ' CZ3' ' A' ' 99' ' ' TRP . 48.5 tttm -59.45 -29.43 67.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -85.1 -28.9 25.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -58.52 -38.71 78.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.504 ' CZ3' ' HG3' ' A' ' 96' ' ' LYS . 3.6 m0 -57.44 118.64 26.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.11 41.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.315 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.1 m -71.9 129.37 38.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.2 165.79 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -113.04 119.12 36.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.0 ttm -88.28 134.73 33.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -116.45 130.38 56.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.525 ' O ' HG12 ' A' ' 106' ' ' VAL . 10.9 t -114.05 35.07 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.49 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -78.21 151.59 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 t0 42.82 46.77 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.74 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 42.79 37.36 1.04 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.4 m -123.36 146.03 48.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.2 t -101.63 113.21 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.834 ' CG2' HG23 ' A' ' 122' ' ' VAL . 3.0 m -126.81 112.74 15.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.438 HG11 ' CD2' ' A' ' 68' ' ' TYR . 85.1 t -83.12 84.85 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' A' ' 122' ' ' VAL . 20.4 mm -73.06 153.59 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.2 t -87.38 153.75 21.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.63 -43.77 58.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -68.21 -42.83 79.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -120.27 141.82 49.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -96.39 -24.46 16.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -103.09 39.79 1.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 122' ' ' VAL . 6.4 tp10 -104.29 -27.43 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.834 HG23 ' CG2' ' A' ' 112' ' ' THR . 7.2 p 34.63 54.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 122' ' ' VAL . 7.4 mt -36.02 -57.19 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 74.3 t -124.77 145.22 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.41 ' OE1' HG21 ' A' ' 122' ' ' VAL . 20.4 tt0 -138.81 105.41 5.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.6 t -130.52 138.7 50.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -91.18 163.53 14.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.74 HG13 ' O ' ' A' ' 109' ' ' ALA . 19.7 m -71.75 -36.03 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.554 ' HD2' HG21 ' A' ' 30' ' ' THR . 10.8 mmm180 -65.23 -36.39 84.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -73.82 -29.49 62.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.444 HD21 ' HB3' ' A' ' 134' ' ' MET . 2.2 tt -52.27 133.85 34.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 89.5 p -94.46 -56.6 2.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.714 ' HB2' HG12 ' A' ' 78' ' ' VAL . 49.3 t80 -145.46 148.26 33.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.444 ' HB3' HD21 ' A' ' 131' ' ' LEU . 4.7 ptp -148.0 124.24 10.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -152.33 -178.45 27.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.0 t -114.17 138.2 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 111.155 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -74.5 -163.19 9.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -53.0 -44.81 67.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -85.81 156.74 20.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.455 ' HB ' HD13 ' A' ' 18' ' ' LEU . 27.3 m -84.41 -10.55 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.414 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 7.6 m80 -101.3 18.11 20.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.421 ' HB ' HG21 ' A' ' 87' ' ' ILE . 19.9 p -124.09 106.23 10.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -123.07 131.07 53.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -136.95 149.63 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -136.59 142.11 43.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 20.5 mt -103.94 134.17 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.5 ptm -132.35 164.4 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -96.47 132.6 41.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.414 HG21 ' HG2' ' A' ' 155' ' ' GLU . 80.9 p -116.58 -38.13 3.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.106 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -122.59 -141.12 5.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -69.29 -63.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . 0.512 ' O ' ' CZ ' ' A' ' 154' ' ' PHE . 16.8 mt-30 -128.25 14.6 6.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -76.29 145.24 39.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.512 ' CZ ' ' O ' ' A' ' 152' ' ' GLN . 3.0 m-85 -132.97 123.09 25.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.516 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 0.2 OUTLIER -108.84 120.19 41.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.54 111.36 23.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -102.64 126.92 49.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.673 ' CG1' HD22 ' A' ' 69' ' ' LEU . 41.5 t -101.01 148.13 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -146.78 137.02 23.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.414 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 57.1 t-105 -87.46 117.41 26.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.545 ' SG ' HG21 ' A' ' 168' ' ' VAL . 68.8 m -109.38 139.8 43.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.538 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -142.01 153.77 64.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 0.0 110.892 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.5 Cg_endo -69.85 -0.51 6.31 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.328 0.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.483 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 48.5 p-10 -174.03 155.16 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 169' ' ' SER . . . -66.62 -24.87 66.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.43 ' HB3' ' ND2' ' A' ' 164' ' ' ASN . . . -39.05 -36.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -73.82 -46.84 42.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.545 HG21 ' SG ' ' A' ' 161' ' ' CYS . 89.8 t -76.79 -61.68 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 165' ' ' ALA . 44.2 p -40.94 -38.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -72.21 -54.21 10.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.19 -43.6 42.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 67.3 t -69.56 -39.52 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -61.15 -45.14 95.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -58.76 -40.6 84.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.075 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.35 53.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 19.9 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.79 0.329 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -62.97 -63.21 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -46.55 -37.58 8.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.3 mmt -58.15 -44.61 87.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -77.58 -39.64 44.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -51.58 -67.71 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -124.49 -31.47 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.57 -138.41 13.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -155.56 117.07 3.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.532 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 15.6 mp0 -106.13 117.6 34.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -57.56 119.42 32.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.633 0.73 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -23.58 30.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.5 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.775 0.322 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -115.08 132.25 56.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -119.45 125.42 48.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -118.38 137.27 53.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.1 ttp180 -89.6 99.02 12.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.8 m -123.8 -179.21 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -118.29 157.61 26.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -101.26 130.61 47.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.546 HD13 HG12 ' A' ' 158' ' ' VAL . 2.8 mp -99.49 -41.45 7.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.54 156.05 8.5 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.44 ' HG2' ' N ' ' A' ' 72' ' ' LEU . 20.9 ttp -77.3 148.48 35.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.568 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -139.02 126.52 13.22 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.644 0.735 . . . . 0.0 110.924 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.568 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.5 Cg_endo -69.77 125.43 12.13 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.25 . . . . 0.0 112.325 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.0 m -115.18 171.67 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -104.68 -25.95 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.5 mtt85 -127.09 143.13 45.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.453 ' HA ' HG21 ' A' ' 146' ' ' ILE . 53.6 Cg_endo -69.77 -21.63 33.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.872 HG12 ' HB2' ' A' ' 133' ' ' PHE . 15.0 m -137.69 171.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.24 119.44 3.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.575 ' CE ' HD22 ' A' ' 83' ' ' LEU . 5.7 mmt -51.89 -54.65 26.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.734 0.302 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -45.1 -35.01 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.9 m -76.95 -32.88 57.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.575 HD22 ' CE ' ' A' ' 80' ' ' MET . 2.5 tp -68.32 -61.91 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -53.34 -18.96 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.472 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 17.9 t -69.53 -45.71 68.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.48 -51.61 54.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.415 HG21 ' HB ' ' A' ' 142' ' ' THR . 56.8 mt -51.92 -51.61 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -65.04 -35.4 81.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.8 m-20 -60.17 -55.11 37.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 90' ' ' LEU . 2.5 mm? -69.32 -40.18 77.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 29.6 mtp -52.59 -45.02 66.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 89' ' ' ASN . 2.2 t -80.48 -18.52 48.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.0 t -75.82 -47.22 26.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 m -123.67 179.71 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.464 ' O ' ' CD1' ' A' ' 99' ' ' TRP . 1.5 p -102.04 164.36 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.54 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 41.7 tttm -61.49 -32.22 72.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -82.17 -39.27 23.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -56.27 -17.96 9.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.54 ' CE3' ' HA ' ' A' ' 96' ' ' LYS . 30.1 m0 -74.48 116.59 54.66 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.518 0.675 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 143.7 51.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.384 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.5 m -76.67 137.12 39.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.1 m -142.99 150.34 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -97.12 118.67 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 59.9 ttm -89.37 132.22 35.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -109.09 141.8 40.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.715 ' O ' HG12 ' A' ' 106' ' ' VAL . 48.4 t -128.64 41.39 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.02 152.22 22.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t70 47.04 42.38 12.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.689 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 49.31 31.48 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.2 m -121.99 140.43 52.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 126' ' ' CYS . 93.3 t -101.9 112.34 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 36.9 m -124.27 116.1 22.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.144 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.639 HG21 ' CE2' ' A' ' 159' ' ' PHE . 96.1 t -81.55 98.26 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.1 mm -87.45 146.1 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.4 t -79.75 122.07 26.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -48.37 -21.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -59.71 -46.43 89.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -140.1 -176.52 4.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -109.45 -15.08 14.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -106.94 20.09 19.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -105.49 80.16 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 122' ' ' VAL . 0.8 OUTLIER -75.39 101.35 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mt -76.23 -59.39 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 43.1 t -126.01 121.17 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -105.59 95.04 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 111' ' ' VAL . 34.3 t -111.86 141.76 45.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -115.65 174.26 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 109' ' ' ALA . 29.6 m -83.53 -48.11 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.549 ' N ' HG23 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -57.63 -18.35 19.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -100.58 -25.11 14.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.803 HD23 ' N ' ' A' ' 132' ' ' SER . 3.7 tt -56.8 140.43 47.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.803 ' N ' HD23 ' A' ' 131' ' ' LEU . 14.8 m -102.58 -59.79 1.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.872 ' HB2' HG12 ' A' ' 78' ' ' VAL . 14.9 t80 -134.36 159.03 42.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.461 ' HE1' HD13 ' A' ' 131' ' ' LEU . 2.4 ptt? -161.67 124.74 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -154.57 -176.11 26.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.537 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 71.5 t -114.78 135.79 53.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.18 -163.64 0.45 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -59.97 -35.48 75.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -98.05 168.68 10.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 165' ' ' ALA . 35.4 m -90.77 0.74 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.484 ' HB3' ' CE2' ' A' ' 160' ' ' TRP . 21.5 m80 -107.63 13.72 26.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.415 ' HB ' HG21 ' A' ' 87' ' ' ILE . 31.8 p -125.43 113.72 17.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.415 ' CD1' ' OG ' ' A' ' 169' ' ' SER . 35.8 t80 -131.97 133.99 45.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.503 ' HB2' HG22 ' A' ' 158' ' ' VAL . . . -142.35 162.56 35.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.07 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -152.02 145.84 25.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.453 HG21 ' HA ' ' A' ' 77' ' ' PRO . 3.0 mp -102.72 140.77 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 17.1 ptm -129.94 147.3 51.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -93.79 103.17 15.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 70.0 p -88.71 25.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 75.83 163.24 13.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 62.64 42.7 8.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.826 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 45.86 33.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -103.53 131.37 50.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -123.33 122.28 37.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.527 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 2.4 mp0 -106.35 123.79 48.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.0 t -96.44 107.63 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -104.48 129.14 52.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.546 HG12 HD13 ' A' ' 69' ' ' LEU . 45.8 t -111.5 146.59 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 0.639 ' CE2' HG21 ' A' ' 113' ' ' VAL . 28.1 m-85 -146.13 131.47 18.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.484 ' CE2' ' HB3' ' A' ' 141' ' ' HIS . 36.7 t-105 -83.27 129.85 35.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.482 ' SG ' HG21 ' A' ' 168' ' ' VAL . 22.0 m -121.83 147.91 45.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 1.1 pp20? -146.08 156.62 50.8 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.647 0.737 . . . . 0.0 110.872 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.9 Cg_endo -69.71 -1.33 6.51 Favored 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.316 -0.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.486 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 13.8 p-10 -160.28 173.76 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -102.16 29.52 5.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -81.48 -46.49 14.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -63.4 -59.71 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.482 HG21 ' SG ' ' A' ' 161' ' ' CYS . 54.6 t -48.61 -72.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . 0.415 ' OG ' ' CD1' ' A' ' 143' ' ' PHE . 3.5 m -40.11 -51.55 2.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -49.79 -54.87 16.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -54.04 -42.42 69.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.48 -36.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -65.26 -61.14 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -54.45 -41.38 69.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.067 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -47.08 -41.17 16.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.434 ' CD2' HG21 ' A' ' 136' ' ' VAL . 17.1 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.838 0.352 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.1 p -56.52 -72.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -44.33 -25.82 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.3 mtt -78.32 -43.69 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -71.59 -35.75 70.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -63.39 -67.1 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -109.69 -54.85 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.67 -153.08 16.73 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.524 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.464 ' CD1' ' NE2' ' A' ' 173' ' ' GLN . 29.2 t80 -141.82 110.89 6.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -102.23 125.45 48.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 29.1 t-20 -66.36 119.76 64.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.642 HG23 ' HB2' ' A' ' 107' ' ' ALA . 5.5 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -123.79 132.42 53.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -116.47 125.12 51.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -116.79 156.45 27.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -106.43 100.77 10.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' A' ' 161' ' ' CYS . 6.6 m -124.47 175.84 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -112.07 153.92 26.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -99.32 129.28 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.514 HD13 HG12 ' A' ' 158' ' ' VAL . 3.2 mp -99.6 -39.61 8.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.57 166.42 12.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.531 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.465 ' HB2' ' CE1' ' A' ' 157' ' ' HIS . 23.3 ttp -83.07 151.33 25.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.629 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -143.53 124.78 8.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 110.965 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.629 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.7 Cg_endo -69.73 127.91 15.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.338 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.66 165.68 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.87 -26.72 16.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -133.41 146.46 60.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -24.28 30.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.238 . . . . 0.0 112.378 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.1 m -128.14 173.38 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.23 117.48 3.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.8 mmt -53.07 -54.67 32.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -47.91 -42.73 27.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.5 m -60.26 -37.93 81.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 tp -70.36 -61.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -42.5 -33.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.481 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 7.0 t -60.88 -43.14 98.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.31 -53.64 45.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 48.0 mt -50.45 -55.88 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.11 -37.3 82.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 85' ' ' SER . 20.5 m-20 -56.34 -61.97 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.55 ' CD2' HD23 ' A' ' 72' ' ' LEU . 4.4 mm? -61.89 -39.92 93.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 44.7 mmm -51.72 -42.29 62.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 71.4 p -79.7 -40.74 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.4 t -57.83 -53.61 56.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 m -109.23 -175.67 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 71.6 m -116.7 159.71 21.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.577 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 13.6 tttp -46.86 -47.13 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -69.53 -44.34 71.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -42.98 -40.47 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.577 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 4.7 m0 -59.94 111.0 3.27 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.542 0.687 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 99' ' ' TRP . 53.8 Cg_endo -69.74 143.91 52.44 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.643 2.229 . . . . 0.0 112.355 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.7 m -69.52 138.5 53.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.3 m -147.18 154.47 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -107.39 121.16 44.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 23.2 ttm -92.53 129.97 38.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 -100.09 131.49 46.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.547 ' O ' HG12 ' A' ' 106' ' ' VAL . 26.3 t -118.87 50.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.642 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -101.75 148.34 25.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.069 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 t70 43.73 50.38 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.694 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 41.61 34.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.455 HG23 ' HD2' ' A' ' 127' ' ' ARG . 96.5 m -119.52 135.17 54.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.4 t -101.98 112.81 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.698 HG23 HG13 ' A' ' 122' ' ' VAL . 57.5 m -127.46 107.61 10.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 82.6 t -69.85 94.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 21.8 mm -81.48 147.44 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -78.93 140.26 38.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.06 -45.57 70.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.427 ' C ' ' OD1' ' A' ' 118' ' ' ASN . 13.6 pttm -62.14 -35.93 80.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 117' ' ' LYS . 5.4 m-20 -135.07 120.79 19.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -68.48 -42.46 78.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -81.65 41.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -133.21 84.9 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.698 HG13 HG23 ' A' ' 112' ' ' THR . 55.1 t -71.64 103.23 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.5 mt -72.49 -50.71 24.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 91.1 t -133.47 131.82 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -117.77 108.72 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 18.8 t -127.63 153.56 46.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.455 ' HD2' HG23 ' A' ' 110' ' ' THR . 21.7 mmm-85 -123.08 134.66 54.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 109' ' ' ALA . 3.4 m -45.77 -24.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -64.85 -45.37 86.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.423 ' CD2' ' HB2' ' A' ' 127' ' ' ARG . 62.3 m-85 -75.27 -33.44 61.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.579 HD21 ' HB3' ' A' ' 134' ' ' MET . 2.4 tt -43.67 131.0 5.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.459 ' N ' HD23 ' A' ' 131' ' ' LEU . 27.5 p -102.73 -55.23 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -138.39 141.85 39.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.579 ' HB3' HD21 ' A' ' 131' ' ' LEU . 5.0 ptp -146.69 122.41 10.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -156.39 -177.2 29.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.535 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.434 HG21 ' CD2' ' A' ' 18' ' ' LEU . 97.6 t -112.05 137.7 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -75.93 -164.67 16.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -51.1 -45.4 61.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -84.95 152.8 23.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.831 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.9 m -79.58 -12.33 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 8.5 m80 -102.21 19.59 18.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.802 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.0 p -118.74 105.08 11.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.197 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -118.49 129.95 55.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -138.75 142.78 38.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 19.8 p90 -140.75 130.68 24.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 21.4 mt -96.88 124.67 49.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 9.2 ptm -114.03 163.0 15.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -99.45 120.29 39.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 64.6 p -101.81 -44.29 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -121.88 -142.91 6.42 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -71.52 -67.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.741 0.305 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -118.13 24.8 10.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -91.95 131.05 37.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -128.54 120.68 27.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -107.32 122.36 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.0 t -102.52 110.02 21.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' HIS . . . . . 0.465 ' CE1' ' HB2' ' A' ' 71' ' ' MET . 88.8 m-70 -104.88 132.42 51.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.514 HG12 HD13 ' A' ' 69' ' ' LEU . 38.7 t -106.98 144.89 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -144.16 131.0 20.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 27.5 t-105 -83.82 108.97 17.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.438 ' SG ' HG21 ' A' ' 168' ' ' VAL . 96.1 m -91.85 149.37 21.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.548 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 9.2 mm-40 -145.28 148.34 37.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.82 -0.49 6.26 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.313 0.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.448 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 31.2 p-10 -169.93 169.49 8.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -74.28 -29.85 61.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 170' ' ' GLU . . . -41.36 -37.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -69.35 -57.53 5.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.438 HG21 ' SG ' ' A' ' 161' ' ' CYS . 72.9 t -69.34 -62.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.5 p -41.7 -44.3 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 166' ' ' ALA . 7.8 tt0 -59.93 -58.92 6.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.435 ' HB1' HG11 ' A' ' 106' ' ' VAL . . . -49.08 -40.4 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.34 -64.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . 0.464 ' NE2' ' CD1' ' A' ' 26' ' ' TYR . 39.6 tt0 -45.79 -48.76 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -55.28 -45.07 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.694 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -48.25 -44.19 33.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 72.2 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.882 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.427 HD13 ' CG1' ' A' ' 140' ' ' VAL . 60.6 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.4 p -51.24 -61.62 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -53.92 -28.12 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.1 mtp -76.71 -36.5 57.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -78.74 -32.05 46.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -78.65 -60.89 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -97.5 -68.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.17 -151.03 17.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 173' ' ' GLN . 24.5 t80 -153.86 105.93 2.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.351 . . . . 0.0 110.924 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -98.33 127.37 44.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 38.6 t-20 -73.2 112.34 15.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.73 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 28' ' ' ASN . 53.9 Cg_endo -69.74 -37.55 9.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.8 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.779 0.323 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -114.81 123.3 48.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -105.62 127.02 52.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -118.05 146.44 44.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -96.24 111.97 23.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.805 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.427 ' CG1' ' SG ' ' A' ' 161' ' ' CYS . 12.3 m -142.69 178.37 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -116.68 155.96 27.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.427 ' CE2' HG11 ' A' ' 113' ' ' VAL . 0.5 OUTLIER -101.37 128.9 47.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.808 HD22 HG11 ' A' ' 158' ' ' VAL . 3.2 mp -98.86 -46.65 5.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.51 167.51 11.19 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.485 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 10.9 tmm? -88.79 140.82 29.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.756 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -134.63 126.73 18.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 110.922 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.756 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.2 Cg_endo -69.83 122.63 9.29 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.331 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.0 m -104.58 165.17 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.12 -27.85 19.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -132.09 150.07 75.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.584 0.706 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.44 ' HD3' ' CE2' ' A' ' 154' ' ' PHE . 53.8 Cg_endo -69.72 -26.96 27.24 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.748 2.299 . . . . 0.0 112.36 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.623 HG12 ' HB2' ' A' ' 133' ' ' PHE . 15.0 m -132.11 168.42 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.84 133.42 4.57 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 mmt -66.93 -59.79 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -43.87 -46.62 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -57.88 -40.02 79.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.96 -54.43 30.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -45.96 -30.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.496 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 12.3 t -63.54 -45.76 89.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.7 -56.86 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.112 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 32.6 mt -47.72 -56.97 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.65 -41.21 94.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.5 m-20 -50.47 -59.57 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.467 ' CD2' HD23 ' A' ' 72' ' ' LEU . 4.4 mm? -66.87 -43.11 84.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 45.0 mtp -51.39 -26.21 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.4 p -93.96 -43.98 8.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.2 m -56.96 -50.07 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.4 m -113.44 -178.58 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.402 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 10.8 m -105.39 166.84 10.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.575 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 38.9 tttm -63.59 -39.67 94.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.15 -40.72 37.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -47.77 -32.03 5.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.575 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 15.6 m0 -59.34 115.59 12.93 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.553 0.692 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 140.12 41.74 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.318 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.9 m -69.25 141.03 54.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 27.4 m -151.32 146.51 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -96.82 122.76 40.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.447 ' SD ' HG22 ' A' ' 113' ' ' VAL . 17.1 tpp -89.2 135.61 33.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -107.53 140.23 40.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.437 ' O ' HG12 ' A' ' 106' ' ' VAL . 11.0 t -130.81 46.04 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.54 151.79 19.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.9 t70 42.77 48.27 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.444 ' O ' HG22 ' A' ' 128' ' ' VAL . . . 45.24 36.73 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.8 m -123.3 140.66 52.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.4 t -104.79 117.84 51.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 34.8 m -131.42 121.73 25.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.447 HG22 ' SD ' ' A' ' 104' ' ' MET . 69.6 t -84.47 98.54 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.2 mm -92.2 146.61 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.4 t -75.11 158.65 32.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.02 -32.45 30.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -63.17 -49.33 74.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -123.04 173.14 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -110.63 -19.0 13.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -100.11 29.45 4.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -110.96 78.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 122' ' ' VAL . 0.8 OUTLIER -73.62 85.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.91 -50.87 69.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.403 HG21 ' OH ' ' A' ' 68' ' ' TYR . 96.4 t -133.25 134.53 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -128.11 100.87 6.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.528 ' HG ' ' CB ' ' A' ' 147' ' ' MET . 2.4 t -121.58 144.95 48.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -110.36 139.78 45.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.485 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.7 m -46.5 -26.95 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -62.52 -45.77 91.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -75.53 -27.98 58.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.604 HD21 ' HB3' ' A' ' 134' ' ' MET . 2.2 tt -48.33 124.97 8.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.0 m -94.92 -64.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.623 ' HB2' HG12 ' A' ' 78' ' ' VAL . 25.6 t80 -132.29 148.45 52.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.604 ' HB3' HD21 ' A' ' 131' ' ' LEU . 6.5 ptp -148.66 123.34 9.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -157.63 174.97 35.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.7 t -107.22 144.64 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 111.19 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.18 -160.84 22.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -54.61 -43.67 72.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.331 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -90.59 166.08 13.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.427 ' CG1' HD13 ' A' ' 18' ' ' LEU . 33.0 m -91.05 -12.62 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.165 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.54 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 2.5 m80 -96.09 19.16 12.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 13.7 p -125.09 105.19 8.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -123.77 128.29 49.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -139.05 152.72 47.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 23.4 p90 -144.35 134.53 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 66.8 mt -95.33 128.66 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.528 ' CB ' ' HG ' ' A' ' 126' ' ' CYS . 9.3 ptm -113.81 165.75 12.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.46 122.29 45.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 75.4 p -100.68 -42.24 6.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.48 -129.65 3.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -89.63 -66.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.311 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -109.66 24.89 12.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -103.33 131.95 49.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.44 ' CE2' ' HD3' ' A' ' 77' ' ' PRO . 3.1 m-85 -133.12 122.49 24.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -107.5 122.73 47.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.7 t -105.98 112.85 26.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' HIS . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 159' ' ' PHE . 95.4 m-70 -102.78 123.35 46.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.808 HG11 HD22 ' A' ' 69' ' ' LEU . 96.8 t -96.21 144.17 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 157' ' ' HIS . 54.7 m-85 -144.47 139.06 28.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.54 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 20.2 t-105 -99.17 127.68 45.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.591 ' SG ' HG21 ' A' ' 168' ' ' VAL . 71.0 m -115.92 151.87 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.558 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 52.3 mt-10 -139.82 148.01 53.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.888 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.7 Cg_endo -69.82 0.6 5.77 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.316 0.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.456 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 1.1 p-10 -175.08 178.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -100.8 40.45 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.419 ' CB ' HD22 ' A' ' 164' ' ' ASN . . . -83.71 -39.32 20.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -79.91 -42.0 25.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.591 HG21 ' SG ' ' A' ' 161' ' ' CYS . 72.3 t -63.61 -67.58 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 33.0 p -45.01 -38.96 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -68.92 -47.91 64.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -54.89 -41.29 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 175' ' ' ALA . 57.6 t -68.25 -49.27 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . 0.575 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 25.8 tt0 -46.81 -49.52 19.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.02 76.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 172' ' ' VAL . . . -52.37 -47.87 65.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' CYS . . . . . 0.434 ' SG ' ' CE1' ' A' ' 26' ' ' TYR . 13.8 p . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 166' ' ' ALA . 17.6 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.861 0.362 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 18' ' ' LEU . 2.3 p -34.12 -48.23 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.839 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -55.03 -54.77 38.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 47.8 mmm -52.73 -38.23 60.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -73.42 -20.88 60.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -84.38 -59.12 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -114.84 -55.13 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.54 -140.23 14.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -158.53 119.96 3.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.878 0.37 . . . . 0.0 110.904 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -100.68 109.82 21.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -58.45 120.68 46.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.669 0.747 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -23.68 30.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.781 HG23 ' HB2' ' A' ' 107' ' ' ALA . 3.4 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.783 0.325 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -102.8 138.18 40.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -127.01 113.32 16.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -108.58 135.88 49.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -86.86 107.91 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.2 m -131.58 163.49 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -103.61 147.92 26.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.39 129.64 39.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mp -100.72 -47.94 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.964 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.59 162.5 9.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.489 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 11.1 tmm? -81.21 149.3 29.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.555 HD22 ' HD2' ' A' ' 73' ' ' PRO . 0.5 OUTLIER -140.17 123.62 10.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.555 ' HD2' HD22 ' A' ' 72' ' ' LEU . 53.5 Cg_endo -69.82 119.95 6.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.443 ' CG1' HG22 ' A' ' 82' ' ' THR . 2.4 m -102.78 -180.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -103.32 -31.11 10.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -128.8 149.0 70.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.563 0.697 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.67 34.44 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.731 HG12 ' HB2' ' A' ' 133' ' ' PHE . 27.2 m -139.72 156.43 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 127.76 122.09 2.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.6 mmt -57.45 -60.51 3.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -38.76 -37.18 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.443 HG22 ' CG1' ' A' ' 74' ' ' VAL . 10.8 m -73.38 -45.15 56.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.33 -55.02 38.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -49.95 -26.36 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.486 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 8.1 t -70.16 -43.47 70.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.91 -45.35 94.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.1 mt -58.61 -53.6 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.67 -29.57 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 85' ' ' SER . 24.2 m-20 -63.67 -51.24 66.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 90' ' ' LEU . 2.8 mm? -71.7 -46.95 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 59.6 mtp -43.61 -50.02 7.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 t -77.11 -19.6 56.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t -71.5 -50.32 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.3 m -123.09 -179.49 4.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.1 m -96.41 158.27 15.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -60.34 -23.37 64.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.4 pt-20 -86.64 -41.45 14.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 19.6 m-20 -47.28 -38.23 12.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.408 ' HA ' ' HD2' ' A' ' 100' ' ' PRO . 9.5 m0 -55.02 110.32 2.12 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.572 0.701 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 99' ' ' TRP . 53.4 Cg_endo -69.77 138.23 37.32 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.677 2.252 . . . . 0.0 112.346 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.417 ' HB3' ' CD ' ' A' ' 116' ' ' GLU . 42.3 m -67.87 135.36 52.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.5 m -144.02 148.71 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -96.74 120.88 37.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 46.3 ttm -90.39 131.31 36.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -103.64 136.82 42.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 106' ' ' VAL . 15.2 t -131.45 51.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.781 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -104.35 151.53 23.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 t70 49.28 35.82 8.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.553 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 56.09 29.89 15.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.6 m -117.7 133.77 55.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.185 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.0 t -102.09 112.64 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.833 ' CG2' HG23 ' A' ' 122' ' ' VAL . 17.6 m -129.28 114.11 15.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.5 t -78.02 95.27 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 9.9 mm -84.16 147.91 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -79.88 159.86 26.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.417 ' CD ' ' HB3' ' A' ' 101' ' ' SER . 7.8 mt-10 -78.5 -51.88 9.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -65.7 -34.17 77.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -124.27 136.44 54.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -93.61 -34.13 13.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -93.49 32.59 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 122' ' ' VAL . 19.7 tp10 -93.78 -27.3 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.833 HG23 ' CG2' ' A' ' 112' ' ' THR . 7.6 p 33.95 51.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 122' ' ' VAL . 7.8 mt -35.05 -55.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 84.1 t -130.44 132.88 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -123.04 108.97 13.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.3 t -128.63 155.53 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -119.84 162.28 19.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 109' ' ' ALA . 14.0 m -66.04 -20.63 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.12 -29.11 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -86.29 -27.02 24.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.617 HD13 ' HE1' ' A' ' 134' ' ' MET . 2.4 tt -57.19 139.65 52.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.57 ' N ' HD23 ' A' ' 131' ' ' LEU . 4.0 t -109.74 -56.82 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.731 ' HB2' HG12 ' A' ' 78' ' ' VAL . 43.9 t80 -136.85 158.74 43.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.617 ' HE1' HD13 ' A' ' 131' ' ' LEU . 8.3 ptp -159.0 129.37 5.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -162.54 179.95 37.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 76.3 t -114.92 145.07 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.81 -160.94 24.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -55.67 -38.77 70.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.791 0.329 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -92.81 151.78 19.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 30.4 m -84.73 6.34 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 11.0 m80 -113.7 15.5 18.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.503 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 1.3 p -125.59 108.58 11.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -125.22 129.62 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -134.73 155.28 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 8.8 p90 -140.96 134.07 29.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 22.1 mt -99.97 120.91 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.8 ptm -106.03 168.9 8.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.0 108.12 18.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 44.4 p -86.29 -37.25 18.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.96 171.73 12.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 22.5 t30 53.22 35.92 21.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 59.89 33.46 21.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 22.3 mmt-85 -98.59 143.97 28.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -132.23 119.58 21.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -106.59 115.74 30.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 8.4 t -96.48 108.38 20.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -103.21 132.49 49.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 18.5 t -107.69 144.44 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -144.3 124.78 13.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.561 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 15.9 t-105 -77.73 123.65 26.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 30.0 m -115.09 144.36 43.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 31.7 mm-40 -140.5 154.01 68.94 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.626 0.727 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.5 Cg_endo -69.7 -2.23 6.96 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.332 -0.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.459 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 22.8 p-10 -170.39 161.19 7.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -85.75 25.19 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.482 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -75.43 -44.26 45.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -70.46 -50.15 41.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 78.3 t -55.54 -63.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.2 m -44.87 -49.81 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -55.48 -59.26 5.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -47.07 -41.25 16.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.67 -51.64 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -46.27 -43.51 15.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.67 76.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -48.93 -51.35 30.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 31.0 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.925 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.845 0.355 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 m -53.81 -57.66 10.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 21' ' ' MET . 3.1 ptmm? -54.46 -39.88 67.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.468 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 69.5 mmm -68.39 -27.38 66.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -87.78 -20.3 26.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -92.11 -61.4 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -95.79 -68.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.65 -157.47 18.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -146.07 111.49 5.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -99.39 114.65 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 59.0 t-20 -60.75 123.99 77.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -45.61 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.371 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.754 HG23 ' HB2' ' A' ' 107' ' ' ALA . 7.1 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.775 0.321 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -101.72 136.86 40.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -119.66 113.81 21.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -108.34 129.12 55.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -80.81 103.52 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.0 m -130.89 165.37 31.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -101.89 163.73 12.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -110.59 129.85 55.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.493 HD23 ' HB3' ' A' ' 90' ' ' LEU . 3.7 mp -99.1 -44.52 6.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 135.0 168.19 11.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.503 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 13.3 tmm? -87.72 139.02 30.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.625 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -129.18 125.65 22.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.713 . . . . 0.0 110.923 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.625 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.8 123.6 10.24 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.729 2.286 . . . . 0.0 112.326 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.463 ' CG1' HG22 ' A' ' 82' ' ' THR . 2.3 m -106.92 161.56 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -93.51 -26.77 17.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -125.65 144.1 47.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -24.54 29.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.469 HG12 ' HB2' ' A' ' 133' ' ' PHE . 25.4 m -137.63 164.06 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 120.63 118.1 2.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.0 mmt -50.48 -57.67 7.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -40.61 -43.73 1.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.463 HG22 ' CG1' ' A' ' 74' ' ' VAL . 7.0 m -63.4 -47.87 80.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.59 -53.05 62.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -57.72 -25.48 60.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.495 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 7.6 t -66.5 -37.51 85.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.34 -50.91 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 58.7 mt -46.33 -58.17 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.24 -39.6 79.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.1 m-20 -56.51 -52.32 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.493 ' HB3' HD23 ' A' ' 69' ' ' LEU . 1.8 mm? -67.96 -44.32 77.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 85.3 mtp -52.08 -33.81 41.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.8 p -81.97 -39.38 23.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.6 t -62.68 -51.28 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -119.49 156.98 29.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -90.35 159.66 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.558 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 31.0 tttt -48.27 -32.08 6.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -82.7 -42.56 17.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -48.3 -31.4 5.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.558 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 3.2 m0 -69.6 118.73 65.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 110.937 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 163.81 36.89 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -91.16 137.42 32.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.8 m -144.8 158.53 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -106.27 120.53 42.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 48.1 ttm -90.72 128.45 36.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -106.43 137.33 44.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 t -127.75 52.97 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.754 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -99.8 148.52 24.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.073 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.3 t0 45.25 47.46 10.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 45.17 36.1 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.712 HG23 ' HD2' ' A' ' 127' ' ' ARG . 76.6 m -122.79 143.43 49.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.9 t -106.52 116.69 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.702 ' CG2' HG13 ' A' ' 122' ' ' VAL . 3.8 m -129.75 98.93 4.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.831 HG12 HD12 ' A' ' 123' ' ' LEU . 76.0 t -68.87 90.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 115' ' ' SER . 20.8 mm -77.51 153.3 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.409 ' N ' HG22 ' A' ' 114' ' ' ILE . 1.5 t -89.45 124.46 34.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.53 -43.41 62.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -53.38 -46.29 69.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -133.31 122.16 23.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.66 -31.35 72.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -89.76 37.55 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -129.24 98.96 5.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.702 HG13 ' CG2' ' A' ' 112' ' ' THR . 97.4 t -85.24 102.76 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.831 HD12 HG12 ' A' ' 113' ' ' VAL . 8.4 mt -70.86 -48.28 54.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 69.1 t -136.89 131.49 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -116.93 99.16 6.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.6 t -122.65 151.94 41.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.712 ' HD2' HG23 ' A' ' 110' ' ' THR . 10.4 mmm-85 -122.04 135.78 54.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.487 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 15.8 m -40.16 -25.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 127' ' ' ARG . 36.9 mmt180 -62.15 -48.23 81.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -73.32 -36.57 66.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.573 HD21 ' HB3' ' A' ' 134' ' ' MET . 1.7 tt -44.69 118.57 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.5 t -91.49 -65.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.469 ' HB2' HG12 ' A' ' 78' ' ' VAL . 26.3 t80 -126.68 153.07 45.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.573 ' HB3' HD21 ' A' ' 131' ' ' LEU . 4.2 ptp -158.15 129.18 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -160.28 -170.68 25.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.53 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.4 t -118.17 140.17 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -77.25 -161.91 15.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -56.05 -39.73 72.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.94 152.21 20.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 35.4 m -82.95 -3.2 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.53 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 12.2 m80 -106.77 14.47 26.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 21.6 p -121.77 107.61 12.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -124.5 128.75 49.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.432 ' HB2' HG22 ' A' ' 158' ' ' VAL . . . -133.04 151.23 52.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 9.4 p90 -138.26 134.87 34.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 21.4 mt -99.82 127.63 52.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 6.8 ptm -118.3 165.75 13.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -101.56 120.62 40.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 67.4 p -98.97 -39.81 8.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.61 -138.13 3.88 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -73.24 -67.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -117.64 20.86 13.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -89.33 123.65 33.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -122.84 125.89 46.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -115.46 118.47 33.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.9 t -98.46 113.06 24.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' HIS . . . . . 0.487 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 89.0 m-70 -102.43 128.92 48.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.432 HG22 ' HB2' ' A' ' 144' ' ' ALA . 22.1 t -106.23 140.49 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 0.487 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 17.0 m-85 -140.54 138.38 34.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.53 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 21.8 t-105 -91.23 123.82 34.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 7.9 m -113.94 155.16 26.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.539 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 60.5 mt-10 -148.65 152.34 37.64 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.692 0.758 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.75 0.04 5.93 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.35 -0.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.487 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 42.7 p30 -169.89 173.23 6.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -96.51 27.05 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -78.08 -41.34 35.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -74.25 -44.98 50.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.82 -72.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.3 t -41.6 -41.61 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -64.28 -47.71 78.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.04 94.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.86 -44.02 92.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -61.9 -58.32 8.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -51.89 -34.44 41.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.24 75.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 82.3 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.946 HD11 ' HB2' ' A' ' 166' ' ' ALA . 18.5 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.87 0.367 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.8 m -64.07 -61.17 2.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 21' ' ' MET . 34.0 pttt -55.04 -29.46 57.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.422 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 96.2 mmm -72.96 -39.46 66.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -72.97 -27.9 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -79.55 -57.8 3.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -106.63 -60.14 1.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.13 -138.05 14.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -149.36 114.01 5.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.819 0.343 . . . . 0.0 110.951 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -101.97 110.58 22.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 47.9 t-20 -62.26 123.72 79.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.645 0.736 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.5 2.05 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.9 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.848 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.8 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.797 0.332 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -105.87 119.43 39.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.45 151.5 49.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -142.93 150.97 40.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -87.49 121.44 29.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 161' ' ' CYS . 35.0 m -141.44 163.55 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -101.13 151.08 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -97.51 131.47 44.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.494 HD13 HG12 ' A' ' 158' ' ' VAL . 3.5 mp -100.94 -40.7 7.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.22 162.63 10.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.601 ' CG ' ' CE1' ' A' ' 157' ' ' HIS . 7.2 tmm? -81.46 150.44 28.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.663 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -141.72 126.58 10.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.572 0.701 . . . . 0.0 110.903 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.663 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.5 Cg_endo -69.78 134.99 29.27 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.9 m -122.07 178.36 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -110.83 -25.88 9.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -129.68 145.55 57.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 -28.16 25.63 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.323 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.65 HG12 ' HB2' ' A' ' 133' ' ' PHE . 11.6 m -128.41 175.64 9.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.22 107.84 3.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 mmt -45.4 -46.88 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -50.08 -49.7 50.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.7 m -56.99 -36.79 70.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 tp -67.49 -58.3 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -49.7 -27.48 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.414 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 44.8 t -66.39 -45.78 78.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.59 -55.55 22.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.435 ' CG2' HG21 ' A' ' 142' ' ' THR . 42.9 mt -46.86 -53.49 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -63.08 -35.57 80.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 85' ' ' SER . 24.1 m-20 -60.23 -53.51 56.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 93' ' ' SER . 3.4 mm? -66.57 -54.65 21.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 89.5 mtp -41.83 -38.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.9 p -78.76 -27.99 44.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 90' ' ' LEU . 6.9 t -73.97 -49.18 25.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.3 m -121.83 156.24 33.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.8 m -87.2 172.58 9.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.513 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 57.6 tttt -59.37 -34.74 72.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.85 -40.43 28.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -49.94 -33.27 17.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.513 ' CE3' ' HA ' ' A' ' 96' ' ' LYS . 5.5 m0 -67.97 113.93 17.64 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 164.06 35.93 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.704 2.269 . . . . 0.0 112.37 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.2 m -91.68 139.13 30.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.3 m -146.01 155.19 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -101.26 128.81 47.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 58.7 ttm -100.38 140.44 34.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -115.57 132.79 56.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.642 ' O ' HG12 ' A' ' 106' ' ' VAL . 36.2 t -122.3 42.52 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.848 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -91.91 151.91 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.084 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.8 t70 46.27 38.31 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.492 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 51.17 34.71 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.42 HG23 ' HG3' ' A' ' 127' ' ' ARG . 87.5 m -123.57 141.39 52.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.9 t -101.54 113.78 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.442 ' CG2' HG13 ' A' ' 122' ' ' VAL . 6.6 m -125.17 101.82 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.573 HG12 HD12 ' A' ' 123' ' ' LEU . 93.2 t -70.01 94.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 115' ' ' SER . 8.6 mm -84.53 157.37 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.441 ' N ' HG22 ' A' ' 114' ' ' ILE . 4.9 t -90.48 155.36 18.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -79.69 -44.44 20.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -35.66 75.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -138.55 128.88 25.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.408 ' O ' ' CG2' ' A' ' 114' ' ' ILE . 35.4 tt0 -72.13 -40.5 68.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.413 ' H ' ' CD ' ' A' ' 120' ' ' GLU . 0.9 OUTLIER -82.33 39.93 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -127.53 85.52 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.442 HG13 ' CG2' ' A' ' 112' ' ' THR . 77.2 t -75.26 94.07 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.573 HD12 HG12 ' A' ' 113' ' ' VAL . 7.4 mt -61.36 -44.49 97.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 77.1 t -142.24 122.43 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -104.16 106.03 16.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.454 ' HG ' ' CB ' ' A' ' 147' ' ' MET . 3.6 t -134.59 158.03 45.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.549 ' NH1' ' CE1' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -128.88 -179.12 4.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.832 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 16.4 m -82.15 -21.67 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -49.66 47.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.549 ' CE1' ' NH1' ' A' ' 127' ' ' ARG . 23.7 m-85 -72.0 -26.02 62.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 132' ' ' SER . 2.4 tt -56.26 132.54 50.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.469 ' N ' HD23 ' A' ' 131' ' ' LEU . 88.9 p -97.77 -65.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.65 ' HB2' HG12 ' A' ' 78' ' ' VAL . 47.8 t80 -130.49 151.47 50.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 3.9 ptp -153.51 111.31 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -143.08 -177.75 18.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.9 t -110.19 146.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -85.95 -161.64 35.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -53.3 -35.3 59.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.331 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.05 161.36 13.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.1 m -92.92 -3.36 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.463 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 13.2 m80 -102.84 7.34 39.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.435 HG21 ' CG2' ' A' ' 87' ' ' ILE . 1.2 p -117.95 107.07 13.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -121.12 129.21 53.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -134.69 156.99 47.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 11.5 p90 -147.09 136.63 22.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' A' ' 154' ' ' PHE . 3.6 mp -95.72 117.69 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.454 ' CB ' ' HG ' ' A' ' 126' ' ' CYS . 6.3 ptm -110.65 155.57 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -97.59 112.85 24.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 40.9 p -95.03 -37.09 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -122.22 -140.72 5.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.469 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -71.82 -69.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . 0.526 ' O ' ' CE1' ' A' ' 154' ' ' PHE . 8.8 mm-40 -119.21 11.9 12.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.55 131.09 38.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.526 ' CE1' ' O ' ' A' ' 152' ' ' GLN . 1.6 m-85 -123.62 118.81 28.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.464 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 3.1 mp0 -105.47 119.43 39.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.3 112.67 24.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' HIS . . . . . 0.601 ' CE1' ' CG ' ' A' ' 71' ' ' MET . 85.2 m-70 -108.6 131.27 55.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.494 HG12 HD13 ' A' ' 69' ' ' LEU . 47.5 t -105.72 140.77 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 22.2 m-85 -140.07 128.41 22.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.463 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 22.1 t-105 -82.01 122.84 28.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.449 ' HA ' HG12 ' A' ' 66' ' ' VAL . 71.5 m -110.81 148.39 32.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.538 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 5.1 mm-40 -142.54 151.78 58.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.8 Cg_endo -69.72 0.23 5.81 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.34 -0.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.488 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 29.1 p30 -173.25 169.01 4.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -88.93 8.95 26.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.946 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -61.07 -43.45 98.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -72.99 -64.21 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 169' ' ' SER . 81.0 t -44.67 -60.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 168' ' ' VAL . 96.3 p -37.94 -49.27 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -66.81 -45.18 79.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.26 -31.69 33.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 24.5 t -83.15 -45.13 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -56.3 -62.88 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.17 -47.38 35.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.492 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -44.31 -37.5 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 60.1 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.845 0.355 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.9 m -45.04 -59.1 2.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -41.1 68.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 54.0 mmm -60.57 -40.43 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -78.53 -21.81 48.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -81.73 -68.54 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.85 -65.99 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.37 -166.66 16.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.547 ' CD2' ' HB2' ' A' ' 173' ' ' GLN . 4.0 t80 -132.45 112.31 12.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.881 0.372 . . . . 0.0 110.913 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -96.27 121.1 37.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 50.4 t-20 -60.6 122.28 66.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.71 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -50.93 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.631 2.221 . . . . 0.0 112.368 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.418 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.4 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.756 0.312 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -117.7 135.78 53.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -114.43 126.03 54.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -117.88 129.84 55.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -83.83 106.4 15.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.824 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.7 m -133.95 172.73 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -111.68 154.22 25.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -100.27 132.32 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mp -102.89 -44.91 5.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.16 173.29 12.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.485 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.476 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 9.4 tmm? -95.95 143.15 27.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.761 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -131.22 129.87 22.51 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.654 0.74 . . . . 0.0 110.918 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.761 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.75 133.1 24.77 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.326 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.7 m -124.35 157.72 31.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -91.2 -28.44 17.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 mmm-85 -124.97 143.19 43.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -27.17 27.08 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.712 2.275 . . . . 0.0 112.359 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.912 HG12 ' HB2' ' A' ' 133' ' ' PHE . 16.2 m -130.36 170.49 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.17 119.0 2.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.0 mmt -52.22 -63.31 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -41.99 -43.0 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.2 m -60.47 -46.85 88.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.45 -58.11 9.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -46.97 -23.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.488 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 10.9 t -69.26 -40.45 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.26 -54.67 18.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.1 mt -47.26 -58.18 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -58.49 -42.83 88.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 85' ' ' SER . 19.3 m-20 -50.31 -61.31 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 93' ' ' SER . 4.3 mm? -62.08 -52.8 62.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 48.8 mtp -40.13 -39.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 35.8 p -82.09 -31.23 30.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 90' ' ' LEU . 28.2 t -63.51 -53.87 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.3 m -122.22 164.26 18.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.492 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 1.1 t -81.66 175.29 10.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.479 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 53.5 tttm -69.52 -30.8 68.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -81.21 -42.26 21.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.22 -36.23 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.492 ' NE1' ' O ' ' A' ' 95' ' ' SER . 7.1 m0 -60.5 114.64 10.66 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.595 0.712 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 155.58 65.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.724 2.283 . . . . 0.0 112.369 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -82.99 142.17 31.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 35.9 m -151.54 145.63 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -94.12 123.62 37.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.449 ' SD ' HG22 ' A' ' 113' ' ' VAL . 18.7 tpp -94.88 133.15 38.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -108.79 137.99 45.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.737 ' O ' HG12 ' A' ' 106' ' ' VAL . 63.7 t -126.8 47.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.418 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -92.74 150.91 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t0 44.68 45.21 7.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 46.8 35.56 3.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.594 HG23 ' HD2' ' A' ' 127' ' ' ARG . 97.6 m -122.0 140.76 52.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.4 t -101.85 117.0 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.722 ' CG2' HG13 ' A' ' 122' ' ' VAL . 6.9 m -130.24 110.21 11.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.611 HG12 HD12 ' A' ' 123' ' ' LEU . 97.4 t -74.55 90.37 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 115' ' ' SER . 31.2 mm -78.84 155.69 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.448 ' N ' HG22 ' A' ' 114' ' ' ILE . 75.6 p -78.39 168.84 19.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -87.47 -63.27 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -53.49 -43.62 68.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -110.12 164.68 12.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -110.51 -40.94 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -83.17 38.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -120.98 87.72 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.722 HG13 ' CG2' ' A' ' 112' ' ' THR . 94.2 t -76.99 91.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.611 HD12 HG12 ' A' ' 113' ' ' VAL . 8.3 mt -62.69 -49.28 75.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 69.8 t -136.69 119.82 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -106.93 111.98 24.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.4 t -139.45 146.93 40.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.594 ' HD2' HG23 ' A' ' 110' ' ' THR . 8.4 mpt_? -114.78 149.15 37.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.436 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.8 m -48.79 -25.65 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -64.89 -46.62 80.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -67.18 -40.01 86.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.616 HD23 ' N ' ' A' ' 132' ' ' SER . 2.2 tt -39.85 136.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.616 ' N ' HD23 ' A' ' 131' ' ' LEU . 77.9 p -109.61 -52.66 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.912 ' HB2' HG12 ' A' ' 78' ' ' VAL . 28.1 t80 -147.63 145.96 29.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 134' ' ' MET . 0.0 OUTLIER -135.35 138.92 43.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -160.34 170.94 36.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 142' ' ' THR . 99.3 t -120.82 143.65 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 111.129 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -82.15 -176.64 51.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -48.2 -40.54 24.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -92.17 128.2 37.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 165' ' ' ALA . 35.1 m -62.25 -12.65 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 8.7 m80 -89.66 15.89 8.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.47 ' O ' HG13 ' A' ' 136' ' ' VAL . 80.6 p -125.5 121.35 33.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.501 ' CZ ' HG21 ' A' ' 172' ' ' VAL . 54.8 t80 -134.01 128.26 33.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -134.66 148.94 50.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 6.3 p90 -146.02 133.4 20.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 56.0 mt -95.49 135.84 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 5.8 ptm -124.46 159.87 29.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.5 114.58 26.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 63.5 p -93.41 -42.89 9.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.2 -127.66 2.93 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -91.72 -63.76 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.757 0.313 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -114.88 20.99 14.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -99.71 126.73 45.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -125.34 125.06 42.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -112.53 118.72 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.8 t -101.69 112.8 25.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -102.77 131.43 49.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.92 148.57 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -146.11 139.43 25.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.578 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 50.1 t-105 -93.85 121.93 35.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 3.3 m -108.94 161.51 15.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.547 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 26.9 mt-10 -160.99 152.22 15.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.3 Cg_endo -69.79 -0.31 6.15 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.355 0.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.475 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 53.1 p-10 -166.1 162.28 17.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 140' ' ' VAL . . . -92.35 30.34 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -79.15 -47.41 16.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -66.77 -44.78 80.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 170' ' ' GLU . 96.9 t -67.4 -73.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 168' ' ' VAL . 17.8 p -34.63 -34.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 168' ' ' VAL . 5.9 tp10 -78.33 -52.65 8.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -55.69 -13.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . 0.501 HG21 ' CZ ' ' A' ' 143' ' ' PHE . 57.7 t -87.76 -66.15 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . 0.547 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . 15.4 pt20 -54.1 -50.22 67.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' A' ' 173' ' ' GLN . . . -48.67 -40.93 29.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.91 86.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 74.8 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.408 HD11 HD21 ' A' ' 164' ' ' ASN . 87.4 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.843 0.354 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 m -41.71 -66.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -41.13 -38.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.2 mtp -71.14 -45.12 64.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -63.12 -32.47 73.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -84.03 -60.79 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -94.52 -58.63 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.21 -144.09 15.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 173' ' ' GLN . 3.5 t80 -153.55 107.8 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.35 . . . . 0.0 110.927 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.561 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 9.4 mp0 -102.85 136.08 43.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -91.16 107.56 22.13 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -30.68 21.94 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.274 . . . . 0.0 112.332 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.6 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.95 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.7 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.82 0.343 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -103.15 120.0 39.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 145.29 51.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 6.4 m-85 -126.49 -179.09 4.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.7 ttp85 -118.86 104.98 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.3 m -129.43 177.2 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -114.77 153.64 29.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -97.38 133.09 42.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.563 HD13 HG12 ' A' ' 158' ' ' VAL . 2.5 mp -102.24 -41.62 6.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.88 173.71 13.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.459 ' HG2' ' N ' ' A' ' 72' ' ' LEU . 17.8 ttp -93.94 147.15 23.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.697 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -138.97 128.46 14.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.663 0.744 . . . . 0.0 110.905 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.697 ' HD2' HD13 ' A' ' 72' ' ' LEU . 54.2 Cg_endo -69.75 130.48 19.42 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.34 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.9 m -117.69 159.71 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.32 -30.14 18.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -130.87 145.11 56.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.447 ' HD3' ' CE2' ' A' ' 154' ' ' PHE . 53.2 Cg_endo -69.8 -17.74 37.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.826 HG12 ' HB2' ' A' ' 133' ' ' PHE . 15.7 m -136.21 166.3 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.98 113.92 2.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.4 mmt -47.08 -55.32 8.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.766 0.317 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -47.78 -43.6 27.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.5 m -58.24 -40.47 81.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tp -68.18 -61.32 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -43.48 -33.8 1.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.424 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 21.3 t -63.71 -44.78 92.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.31 -54.3 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 37.1 mt -49.07 -55.8 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -60.63 -37.73 82.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 85' ' ' SER . 19.6 m-20 -56.06 -54.18 48.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.471 HD21 ' HB2' ' A' ' 72' ' ' LEU . 4.2 mm? -67.88 -53.38 27.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.473 ' SD ' ' CH2' ' A' ' 99' ' ' TRP . 76.6 mmm -42.23 -40.54 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.3 p -75.48 -30.4 59.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 90' ' ' LEU . 10.5 t -60.51 -55.09 37.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 m -125.56 -179.7 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.489 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 24.3 p -92.06 177.81 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.57 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 29.7 tttm -72.09 -27.26 62.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -87.59 -27.02 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.52 -22.43 66.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.57 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 6.9 m0 -72.12 122.21 86.74 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.572 0.701 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 154.72 67.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.8 p -83.4 128.44 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 27.5 m -140.82 153.37 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -105.51 132.58 51.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.7 ttm -103.33 128.14 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -99.54 141.4 32.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 t -131.55 48.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.95 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -96.81 153.33 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.9 t70 46.6 41.53 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 51.19 32.37 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.694 HG23 ' HD3' ' A' ' 127' ' ' ARG . 24.9 m -121.49 145.55 47.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 42.1 t -108.47 119.69 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.5 m -130.11 117.36 19.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 88.3 t -83.14 92.03 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 115' ' ' SER . 6.0 mm -84.78 160.67 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 114' ' ' ILE . 8.5 t -93.59 153.61 18.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -76.74 -24.56 52.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -69.11 -48.53 62.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -130.6 162.03 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -96.88 -18.12 19.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -101.78 31.43 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -116.26 79.94 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 122' ' ' VAL . 0.7 OUTLIER -75.83 92.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.05 -44.31 92.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.1 t -139.55 138.49 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.411 ' HG2' ' NH1' ' A' ' 127' ' ' ARG . 50.2 tt0 -126.35 102.66 7.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.501 ' HG ' ' CB ' ' A' ' 147' ' ' MET . 2.6 t -121.27 155.88 33.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.694 ' HD3' HG23 ' A' ' 110' ' ' THR . 4.0 mmt-85 -123.86 146.3 48.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.612 HG23 ' H ' ' A' ' 129' ' ' ARG . 6.9 m -50.24 -56.59 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.612 ' H ' HG23 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -46.64 -36.43 6.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.411 ' N ' ' HG2' ' A' ' 129' ' ' ARG . 12.0 m-85 -78.63 -24.88 45.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.611 HD21 ' HB3' ' A' ' 134' ' ' MET . 1.7 tt -54.54 124.51 16.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.6 p -90.32 -57.65 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.826 ' HB2' HG12 ' A' ' 78' ' ' VAL . 18.7 t80 -147.76 147.1 29.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.611 ' HB3' HD21 ' A' ' 131' ' ' LEU . 5.1 ptp -148.32 144.14 27.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -170.03 -176.57 39.76 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.524 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.1 t -116.49 139.79 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.85 -169.85 31.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -35.12 25.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -94.87 158.22 15.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.458 ' O ' ' HB3' ' A' ' 165' ' ' ALA . 32.8 m -84.87 -18.82 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 14.1 m80 -91.98 19.31 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.4 p -121.73 104.46 9.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -123.32 128.06 49.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -139.47 169.46 17.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.512 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 7.8 p90 -161.94 138.26 7.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.01 140.7 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . 0.501 ' CB ' ' HG ' ' A' ' 126' ' ' CYS . 20.0 ptm -132.58 156.14 47.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -94.62 115.46 27.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 80.8 p -90.11 -44.45 9.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -117.42 -116.9 2.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -108.6 -62.94 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.938 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -110.35 15.2 22.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -103.73 133.19 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.447 ' CE2' ' HD3' ' A' ' 77' ' ' PRO . 1.5 m-85 -131.61 129.45 40.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -110.92 140.63 45.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 4.2 t -110.85 120.93 44.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -109.77 126.61 53.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.563 HG12 HD13 ' A' ' 69' ' ' LEU . 99.0 t -104.84 143.41 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -141.07 131.99 26.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.574 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 58.5 t-105 -87.98 127.5 35.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 3.4 m -115.77 155.6 27.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.548 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 47.7 mt-10 -154.23 153.08 27.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.7 Cg_endo -69.73 -3.23 7.53 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.353 -0.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.838 ' ND2' ' HB2' ' A' ' 166' ' ' ALA . 6.2 t30 -165.76 144.86 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.518 ' N ' ' OD1' ' A' ' 164' ' ' ASN . . . -79.81 42.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.838 ' HB2' ' ND2' ' A' ' 164' ' ' ASN . . . -87.07 -48.34 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -64.78 -42.82 94.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 63.4 t -63.81 -64.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 81.3 p -47.5 -30.16 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -76.58 -47.38 22.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -58.94 -40.83 85.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . 0.461 ' O ' ' HB3' ' A' ' 175' ' ' ALA . 73.4 t -66.24 -37.21 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . 0.579 ' HG2' ' CD2' ' A' ' 26' ' ' TYR . 39.1 mt-30 -55.72 -63.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -51.54 -39.02 56.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 172' ' ' VAL . . . -45.47 -48.04 13.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.082 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.93 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 166' ' ' ALA . 16.5 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.822 0.344 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -71.83 -50.71 27.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -62.83 -32.44 73.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.6 mmm -70.99 -30.86 67.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -83.01 -41.61 18.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -57.46 -62.09 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -117.5 -50.42 2.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.5 -158.59 14.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -134.99 103.24 5.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.912 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -89.5 108.74 19.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -54.11 122.36 35.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.596 0.712 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.04 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.321 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.1 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.807 0.337 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -120.7 124.36 45.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.21 115.92 30.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -107.44 132.21 53.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -82.95 95.93 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 161' ' ' CYS . 31.5 m -125.72 162.48 28.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -102.46 154.23 19.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -98.61 130.11 45.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.532 HD22 ' CG1' ' A' ' 158' ' ' VAL . 4.5 mp -98.81 -41.69 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.66 164.09 11.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.2 ttp -82.77 145.38 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.609 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -137.78 127.4 15.15 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.607 0.717 . . . . 0.0 110.919 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.609 ' HD2' HD13 ' A' ' 72' ' ' LEU . 54.1 Cg_endo -69.72 126.21 13.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 m -108.68 -179.27 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -115.75 -18.15 10.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -138.64 146.56 51.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.643 0.735 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -25.82 28.44 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.75 HG12 ' HB2' ' A' ' 133' ' ' PHE . 20.0 m -134.96 166.64 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.57 113.22 2.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 83' ' ' LEU . 2.3 mmt -47.49 -56.98 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -39.61 -41.62 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.2 m -65.79 -38.95 90.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.503 HD21 ' O ' ' A' ' 135' ' ' GLY . 1.8 tp -69.43 -54.53 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -54.1 -22.69 11.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.467 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 13.4 t -74.95 -44.02 50.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.68 -50.28 63.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 58.5 mt -49.54 -51.91 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -65.16 -37.63 88.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 85' ' ' SER . 25.8 m-20 -55.2 -48.33 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.499 ' CD2' HD23 ' A' ' 72' ' ' LEU . 3.0 mm? -74.98 -46.33 36.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 67.2 mtp -51.35 -27.49 9.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.4 p -84.05 -44.12 14.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.2 p -61.36 -50.58 72.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.2 m -116.48 161.08 19.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.467 ' O ' ' CE2' ' A' ' 99' ' ' TRP . 1.1 t -91.37 -179.0 5.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.817 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.473 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 65.4 tttt -66.84 -33.03 74.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -79.68 -44.17 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -45.21 -33.96 2.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.473 ' CE3' ' HA ' ' A' ' 96' ' ' LYS . 9.8 m0 -64.42 112.4 7.65 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 138.47 37.93 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.686 2.258 . . . . 0.0 112.383 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 t -67.03 141.14 57.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 33.0 m -149.62 148.82 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -96.92 116.74 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.483 ' SD ' HG22 ' A' ' 113' ' ' VAL . 22.4 tpp -88.07 130.3 35.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -105.46 140.05 39.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.655 ' O ' HG12 ' A' ' 106' ' ' VAL . 38.7 t -130.54 41.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.35 149.83 23.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.7 t70 46.19 43.92 11.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 49.16 34.81 6.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.5 m -121.84 137.58 54.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 38.8 t -101.78 120.48 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.547 ' CG2' HG13 ' A' ' 122' ' ' VAL . 2.6 m -133.03 113.76 13.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.183 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.483 HG22 ' SD ' ' A' ' 104' ' ' MET . 91.3 t -79.83 85.39 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.475 ' CD1' HG22 ' A' ' 122' ' ' VAL . 10.0 mm -77.23 145.92 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -79.56 136.45 36.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.08 -34.61 78.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -69.14 -38.39 78.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -133.65 121.23 21.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -67.18 -41.42 85.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -83.84 41.05 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -133.51 88.21 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.592 HG11 ' HB2' ' A' ' 125' ' ' GLU . 54.0 t -79.12 101.02 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.438 HD12 HG12 ' A' ' 113' ' ' VAL . 19.4 mt -67.75 -43.57 79.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 47.7 t -143.74 114.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.592 ' HB2' HG11 ' A' ' 122' ' ' VAL . 35.2 tt0 -102.44 99.47 9.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.85 155.45 31.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 41.6 mtt85 -120.25 171.31 8.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 109' ' ' ALA . 19.1 m -77.18 -34.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.47 ' CD ' ' H ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -64.95 -26.48 68.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -91.26 -26.37 19.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 134' ' ' MET . 1.5 tt -58.69 136.88 57.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.3 t -103.74 -69.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.75 ' HB2' HG12 ' A' ' 78' ' ' VAL . 43.1 t80 -126.16 154.09 43.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.522 ' HB3' HD21 ' A' ' 131' ' ' LEU . 5.8 ptp -160.12 122.22 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.503 ' O ' HD21 ' A' ' 83' ' ' LEU . . . -150.66 175.32 29.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.9 t -103.4 129.01 55.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.43 -160.75 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.455 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -55.34 -45.64 76.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -89.34 164.33 14.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.1 m -93.45 11.32 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.547 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 10.4 m80 -117.58 19.1 14.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.4 p -131.22 105.28 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -116.73 129.31 56.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -137.0 155.18 50.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.526 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 5.1 p90 -148.81 140.58 23.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.7 mp -98.19 127.33 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 8.5 ptm -112.66 161.24 17.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -103.71 105.31 15.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.502 HG21 ' OE2' ' A' ' 155' ' ' GLU . 48.4 p -83.81 -44.26 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.147 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 146.64 158.05 7.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 21.5 t30 66.09 34.44 6.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 61.77 27.72 16.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -95.22 137.57 34.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -124.3 117.29 24.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.502 ' OE2' HG21 ' A' ' 149' ' ' THR . 88.9 mt-10 -105.56 118.15 35.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.1 t -96.7 115.26 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' HIS . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 159' ' ' PHE . 90.9 m-70 -106.44 126.33 52.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.532 ' CG1' HD22 ' A' ' 69' ' ' LEU . 21.6 t -103.43 138.94 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 157' ' ' HIS . 27.5 m-85 -139.6 136.84 34.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.547 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 31.7 t-105 -87.74 126.14 34.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.564 ' SG ' HG21 ' A' ' 168' ' ' VAL . 78.6 m -109.44 158.14 18.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.543 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 72.4 mt-10 -155.54 149.51 19.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.639 0.733 . . . . 0.0 110.866 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.1 Cg_endo -69.74 0.99 5.49 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.312 -0.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.483 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 33.4 p-10 -167.32 173.19 9.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.411 ' C ' HD21 ' A' ' 18' ' ' LEU . . . -96.83 31.45 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.558 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -86.49 -48.24 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -68.96 -47.58 65.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.564 HG21 ' SG ' ' A' ' 161' ' ' CYS . 37.5 t -57.46 -64.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.8 m -43.75 -50.16 7.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -55.66 -51.77 66.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.58 -43.32 46.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 57.1 t -72.07 -41.67 67.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -60.16 -60.9 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.38 -41.16 28.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.455 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -53.36 -43.62 67.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 86.5 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.908 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.422 HD13 ' HB ' ' A' ' 140' ' ' VAL . 39.3 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.811 0.338 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 m -57.43 -55.83 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -60.38 -36.65 78.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 44.2 mmm -64.11 -42.02 97.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -75.42 -27.5 59.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -71.47 -64.98 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.8 -51.48 2.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.08 -161.37 12.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -127.07 98.16 5.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.924 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -83.48 105.83 14.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -58.85 118.85 32.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -37.26 9.33 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.4 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.602 HG23 ' HB2' ' A' ' 107' ' ' ALA . 5.7 p . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.798 0.333 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -100.41 136.33 40.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -120.43 119.6 33.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -112.83 150.32 31.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -98.96 103.15 15.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.2 m -130.51 167.3 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -109.9 154.67 22.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.2 130.07 45.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 mp -101.43 -40.1 7.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 131.89 168.54 12.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.539 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.402 ' HB2' ' CE1' ' A' ' 157' ' ' HIS . 19.5 ttp -91.98 145.24 24.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.589 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -135.98 126.68 16.75 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.593 0.711 . . . . 0.0 110.95 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.589 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.71 130.84 20.1 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.273 . . . . 0.0 112.326 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.07 169.77 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.35 -30.26 13.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -125.55 150.63 68.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.553 0.692 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -25.57 28.24 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.652 2.234 . . . . 0.0 112.308 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.798 HG12 ' HB2' ' A' ' 133' ' ' PHE . 15.8 m -138.34 173.05 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.54 122.77 3.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 83' ' ' LEU . 4.3 mmt -54.3 -63.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.771 0.32 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -41.37 -36.06 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -72.03 -36.23 69.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 80' ' ' MET . 4.9 tp -72.35 -54.53 9.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -45.53 -28.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.465 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 19.8 t -65.19 -44.67 87.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.14 -57.4 11.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 45.4 mt -48.4 -54.99 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -61.65 -37.29 83.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.0 m-20 -56.79 -58.58 7.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 72' ' ' LEU . 2.3 mm? -65.87 -43.93 86.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 32.2 mtp -48.0 -48.56 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.1 t -80.56 -21.18 41.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.7 t -66.05 -49.42 67.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.0 m -130.58 -177.24 4.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.4 m -104.64 163.63 12.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.584 ' HD2' ' CZ3' ' A' ' 99' ' ' TRP . 18.7 tptp -53.34 -44.72 68.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -62.16 -40.22 95.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -53.8 -37.25 63.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.584 ' CZ3' ' HD2' ' A' ' 96' ' ' LYS . 10.9 m0 -63.73 111.47 5.32 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.532 0.682 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 99' ' ' TRP . 54.0 Cg_endo -69.79 140.49 42.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.637 2.225 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.9 m -70.67 133.95 47.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.8 m -143.01 149.46 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 114' ' ' ILE . 36.9 m-80 -95.09 123.87 38.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 58.9 ttm -94.2 129.57 40.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -104.3 145.6 30.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.6 t -134.45 50.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.602 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -98.47 152.51 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.2 t70 47.56 40.2 11.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.707 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 51.24 31.33 6.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 48.2 m -119.48 139.99 51.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 48.1 t -104.33 111.84 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.2 m -125.53 118.56 26.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.415 HG21 ' CE2' ' A' ' 159' ' ' PHE . 87.3 t -81.67 97.74 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 103' ' ' ASN . 4.9 mm -89.43 145.99 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.3 t -79.2 156.24 28.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -78.85 -36.35 42.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -54.78 -46.07 74.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -135.41 164.68 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -97.31 -21.72 17.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -98.1 31.02 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -114.83 77.8 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 122' ' ' VAL . 0.9 OUTLIER -74.2 85.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.5 mt -59.47 -44.29 93.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 25.1 t -141.88 130.27 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -116.61 99.96 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.9 t -118.6 146.95 44.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -115.62 174.78 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 109' ' ' ALA . 23.3 m -84.97 -24.06 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -74.87 -31.64 61.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -87.01 -30.98 20.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 132' ' ' SER . 2.5 tt -48.67 139.81 9.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.451 ' N ' HD23 ' A' ' 131' ' ' LEU . 33.9 t -104.48 -62.03 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.798 ' HB2' HG12 ' A' ' 78' ' ' VAL . 74.3 t80 -136.78 152.33 50.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 4.0 ptp -155.65 123.99 5.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -150.27 -177.45 24.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.17 140.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -81.9 -170.17 44.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -43.63 -43.03 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.52 157.94 17.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.422 ' HB ' HD13 ' A' ' 18' ' ' LEU . 14.0 m -86.26 -18.43 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 163' ' ' PRO . 18.0 m80 -90.45 12.18 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 17.8 p -114.41 113.92 25.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -127.01 128.96 47.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -135.48 144.85 46.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 9.6 p90 -138.36 132.89 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 65.0 mt -96.67 133.56 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 6.7 ptm -126.85 163.76 22.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -100.03 114.29 27.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.489 HG21 ' CD ' ' A' ' 155' ' ' GLU . 29.2 p -100.74 -14.11 18.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.154 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -144.36 -151.28 5.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -67.7 -56.95 7.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.337 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . 0.461 ' O ' ' CZ ' ' A' ' 154' ' ' PHE . 14.5 mt-30 -129.28 16.54 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 -81.64 146.74 29.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.461 ' CZ ' ' O ' ' A' ' 152' ' ' GLN . 3.2 m-85 -138.62 120.55 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.489 ' CD ' HG21 ' A' ' 149' ' ' THR . 70.0 mt-10 -107.01 123.85 48.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.4 t -101.95 111.37 23.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' HIS . . . . . 0.48 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 89.1 m-70 -106.4 125.83 51.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 23.3 t -102.1 145.4 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 48.3 m-85 -145.59 131.73 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.423 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 37.9 t-105 -80.46 115.62 20.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 69.5 m -89.91 163.01 15.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.561 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 30.3 mt-10 -156.53 140.89 11.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.667 0.746 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.561 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.8 Cg_endo -69.72 -0.04 5.93 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.319 -0.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.663 HD22 ' HB3' ' A' ' 166' ' ' ALA . 0.7 OUTLIER -175.16 176.39 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.94 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 166' ' ' ALA . . . -73.16 -34.3 65.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.663 ' HB3' HD22 ' A' ' 164' ' ' ASN . . . -36.53 -41.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -69.16 -61.16 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 169' ' ' SER . 60.0 t -64.22 -64.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 168' ' ' VAL . 91.3 p -36.88 -42.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -68.92 -48.87 62.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -56.12 -40.19 73.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.04 -49.26 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -58.1 -48.21 80.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -52.84 -49.53 65.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.707 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -52.61 -46.28 66.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.898 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 166' ' ' ALA . 31.8 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.847 0.356 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.6 m -62.59 -58.25 8.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -28.89 65.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.8 mmm -71.37 -42.41 68.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -78.54 -26.48 45.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -75.34 -62.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -112.13 -51.41 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.18 -155.27 16.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.487 ' CZ ' ' HG3' ' A' ' 173' ' ' GLN . 23.4 t80 -145.78 111.63 5.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.959 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -102.42 123.27 45.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 26.9 t-20 -56.5 127.5 72.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.665 0.745 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -47.58 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.7 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.623 HG13 ' HB2' ' A' ' 107' ' ' ALA . 99.8 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.79 0.328 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -95.74 122.89 39.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -118.41 113.68 21.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -112.08 130.99 55.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -81.02 106.1 12.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.468 HG11 ' SG ' ' A' ' 161' ' ' CYS . 14.9 m -132.28 164.77 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -101.25 149.2 24.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.549 ' CD2' HG11 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -96.76 129.6 44.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mp -98.19 -44.63 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.8 167.43 11.73 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.652 ' CG ' ' CE1' ' A' ' 157' ' ' HIS . 8.1 tmm? -88.19 146.3 25.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.584 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -134.87 126.77 18.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.603 0.715 . . . . 0.0 110.927 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.584 ' HD2' HD13 ' A' ' 72' ' ' LEU . 54.0 Cg_endo -69.76 131.18 20.7 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 m -117.37 -177.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -120.09 -20.68 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.7 mtt85 -125.28 139.92 34.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.641 0.734 . . . . 0.0 110.851 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 -21.4 33.4 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.65 2.233 . . . . 0.0 112.356 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 133' ' ' PHE . 27.0 m -141.52 165.71 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.46 128.58 3.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 83' ' ' LEU . 5.6 mmt -60.57 -61.65 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.763 0.316 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 80' ' ' MET . 36.6 t0 -36.42 -36.91 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.0 m -70.86 -47.21 60.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.194 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.516 HD21 ' O ' ' A' ' 135' ' ' GLY . 3.4 tp -62.57 -56.04 21.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -47.73 -25.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.49 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 26.9 t -71.99 -42.89 65.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.47 -40.11 95.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.422 ' O ' ' CG ' ' A' ' 91' ' ' MET . 64.3 mt -62.33 -53.75 43.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -65.4 -32.99 74.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.3 m-20 -56.53 -63.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.44 ' CD2' HD23 ' A' ' 72' ' ' LEU . 4.0 mm? -61.82 -33.04 73.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.422 ' CG ' ' O ' ' A' ' 87' ' ' ILE . 37.1 mmm -61.19 -28.26 69.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -90.8 -44.93 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.205 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -58.01 -48.1 81.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.0 m -115.28 179.48 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.1 p -107.84 169.49 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 38.0 tttm -61.91 -29.44 70.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -82.02 -47.64 12.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -40.41 -37.65 0.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.569 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 7.0 m0 -57.58 109.42 1.76 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.586 0.708 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 139.63 40.51 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.232 . . . . 0.0 112.333 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.425 ' HB3' ' CD ' ' A' ' 116' ' ' GLU . 57.7 m -67.35 136.27 54.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.7 m -147.76 159.68 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -107.15 128.54 54.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 19.3 tpp -95.87 131.78 41.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -106.76 129.23 54.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.707 ' O ' HG12 ' A' ' 106' ' ' VAL . 47.3 t -118.62 41.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.623 ' HB2' HG13 ' A' ' 61' ' ' VAL . . . -85.66 145.64 27.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.9 t70 45.11 48.8 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 45.54 35.02 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.3 m -121.5 139.48 53.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.6 t -105.14 120.27 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.831 HG23 HG13 ' A' ' 122' ' ' VAL . 22.3 m -134.93 108.39 7.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.165 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.557 HG12 HD12 ' A' ' 123' ' ' LEU . 58.5 t -71.5 96.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.1 mm -87.36 151.89 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.611 ' OG ' HD21 ' A' ' 123' ' ' LEU . 2.3 m -83.93 153.38 23.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.425 ' CD ' ' HB3' ' A' ' 101' ' ' SER . 16.0 mt-10 -80.03 -24.58 40.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -80.52 -38.41 29.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -129.56 129.72 44.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -77.72 -32.4 52.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -85.69 31.6 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -117.0 117.79 30.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.831 HG13 HG23 ' A' ' 112' ' ' THR . 55.0 t -103.02 72.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.611 HD21 ' OG ' ' A' ' 115' ' ' SER . 9.0 mt -42.95 -44.82 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.533 HG21 ' OH ' ' A' ' 68' ' ' TYR . 87.0 t -145.89 130.59 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -114.97 100.9 8.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.429 ' C ' ' HD3' ' A' ' 127' ' ' ARG . 8.0 t -118.62 143.28 46.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.464 ' NH1' ' CE1' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -119.19 142.47 47.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.831 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.455 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 16.0 m -55.47 -18.26 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -65.3 -54.13 33.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.464 ' CE1' ' NH1' ' A' ' 127' ' ' ARG . 9.1 m-85 -73.4 -30.3 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.648 HD13 ' HE1' ' A' ' 134' ' ' MET . 1.8 tt -42.78 127.65 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.52 ' N ' HD23 ' A' ' 131' ' ' LEU . 46.7 p -101.78 -57.78 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.575 ' HB2' HG12 ' A' ' 78' ' ' VAL . 11.7 t80 -130.74 156.73 44.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.648 ' HE1' HD13 ' A' ' 131' ' ' LEU . 5.6 ptp -161.88 118.61 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.516 ' O ' HD21 ' A' ' 83' ' ' LEU . . . -157.15 177.38 34.04 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.468 HG21 ' CD2' ' A' ' 18' ' ' LEU . 97.3 t -103.76 149.5 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 111.135 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -84.83 -160.55 32.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.95 -34.99 63.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -99.01 165.66 11.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 20.3 m -95.28 -2.18 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.534 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 35.0 m80 -105.08 14.79 28.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 22.7 p -125.5 106.59 9.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -118.0 128.11 54.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -136.85 150.99 48.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 14.5 p90 -141.27 138.84 33.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 63.3 mt -101.44 119.54 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 5.0 ptm -106.88 171.54 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -107.86 103.21 12.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 64.1 p -98.03 33.62 2.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 157.49 -154.1 25.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -70.56 -64.77 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -119.88 22.62 11.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -92.1 124.48 36.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -126.33 120.43 29.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -111.07 117.33 33.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.3 t -98.56 109.28 22.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' HIS . . . . . 0.652 ' CE1' ' CG ' ' A' ' 71' ' ' MET . 87.7 m-70 -102.87 131.95 49.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 27.9 t -105.68 144.95 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -141.76 140.79 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.534 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 40.5 t-105 -99.41 129.07 45.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.468 ' SG ' HG11 ' A' ' 66' ' ' VAL . 72.8 m -121.93 161.75 22.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.546 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 30.0 mt-10 -150.99 152.58 31.78 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.657 0.741 . . . . 0.0 110.934 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.9 Cg_endo -69.8 0.05 5.99 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.358 0.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.489 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 44.4 p-10 -168.53 171.85 8.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -100.0 21.57 12.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.563 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -69.25 -43.06 74.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -69.0 -65.2 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 89.1 t -45.36 -59.19 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 86.3 p -46.04 -41.95 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -69.91 -44.33 69.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -57.47 -43.85 84.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 175' ' ' ALA . 93.9 t -70.04 -48.68 61.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . 0.487 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 12.1 tt0 -59.94 -61.82 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.21 -36.49 13.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 172' ' ' VAL . . . -50.43 -42.59 54.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.894 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 166' ' ' ALA . 18.5 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.861 0.362 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.8 t -55.88 -54.91 38.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -56.5 -36.45 69.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 mmt -63.41 -42.09 98.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -83.84 -0.14 49.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -91.34 -63.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -125.8 -44.56 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.2 -169.86 13.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -128.61 112.57 14.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -88.85 116.98 27.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -65.59 115.08 18.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -40.39 5.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.683 HG21 ' HD3' ' A' ' 129' ' ' ARG . 34.1 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.794 HG23 ' HB2' ' A' ' 107' ' ' ALA . 7.5 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.752 0.31 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -124.21 130.41 52.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -112.19 117.43 32.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -111.37 152.9 26.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 48.0 ttp85 -101.46 118.03 36.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.1 m -146.15 177.62 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -117.02 151.87 35.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -97.22 129.04 44.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.954 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.444 HD22 HG11 ' A' ' 158' ' ' VAL . 2.6 mp -101.25 -38.43 8.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.27 163.94 11.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.453 ' HG2' ' N ' ' A' ' 72' ' ' LEU . 10.5 ttp -84.13 145.95 28.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.577 HD23 ' CD2' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -136.94 125.2 14.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.584 0.707 . . . . 0.0 110.951 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.57 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.7 Cg_endo -69.78 137.4 35.33 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 30.5 m -124.96 165.68 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -93.14 -28.65 16.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -127.23 142.12 42.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.701 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.14 36.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.646 2.23 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.721 HG12 ' HB2' ' A' ' 133' ' ' PHE . 13.8 m -135.77 169.14 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 113.2 121.84 3.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.473 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.0 mmt -56.85 -54.76 42.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -45.51 -31.18 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.3 m -76.56 -43.88 37.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.39 -53.78 47.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -54.0 -26.14 24.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.8 t -66.98 -40.32 87.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.33 -60.89 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 34.4 mt -41.09 -48.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.1 -36.96 83.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -59.3 -47.42 85.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.577 ' CD2' HD23 ' A' ' 72' ' ' LEU . 2.0 mm? -76.75 -47.77 20.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.0 mtp -39.21 -48.1 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.5 t -75.78 -27.89 58.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 90' ' ' LEU . 70.1 m -63.85 -49.7 71.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.807 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 m -126.86 155.29 43.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.513 ' O ' ' CE2' ' A' ' 99' ' ' TRP . 79.4 p -82.3 -177.53 6.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.512 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 21.7 tttt -70.89 -26.36 63.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -89.82 -25.67 20.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.41 -30.51 71.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.513 ' CE2' ' O ' ' A' ' 95' ' ' SER . 4.7 m0 -70.43 113.35 17.54 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.549 0.69 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 138.48 37.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.9 p -64.59 137.15 57.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.802 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.5 m -145.72 147.6 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -97.71 121.56 39.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 52.9 ttm -88.95 133.86 34.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -110.77 142.9 42.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 106' ' ' VAL . 21.2 t -133.49 42.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.794 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -83.05 145.04 29.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 t0 43.0 53.61 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 42.63 39.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.569 HG23 ' HG2' ' A' ' 127' ' ' ARG . 20.9 m -123.55 137.12 54.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 47.3 t -103.78 113.14 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 62.2 m -128.23 110.29 12.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.8 t -75.9 99.73 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.8 mm -90.6 151.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -86.7 139.18 31.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -70.95 -24.4 62.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -26.49 61.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -159.76 114.72 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.67 -33.12 63.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 120' ' ' GLU . 17.6 mp0 -81.73 16.83 1.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -107.2 76.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.432 HG12 ' H ' ' A' ' 122' ' ' VAL . 1.8 p -74.05 96.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.2 mt -70.33 -48.25 57.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 59.4 t -135.13 134.05 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -124.03 95.67 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.96 171.57 8.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.569 ' HG2' HG23 ' A' ' 110' ' ' THR . 10.5 mtt-85 -131.4 -177.33 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.4 m -80.95 -37.75 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.683 ' HD3' HG21 ' A' ' 30' ' ' THR . 55.7 mmt-85 -62.75 -37.47 86.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -72.28 -37.81 68.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.687 HD23 ' N ' ' A' ' 132' ' ' SER . 2.2 tt -46.23 148.58 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.687 ' N ' HD23 ' A' ' 131' ' ' LEU . 96.4 p -111.79 -62.75 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.721 ' HB2' HG12 ' A' ' 78' ' ' VAL . 58.1 t80 -134.91 140.44 45.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.489 ' HE1' HD22 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -131.44 134.19 45.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -166.08 170.2 40.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.525 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 90.3 t -111.07 140.94 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.383 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -72.97 -168.2 12.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -52.65 -39.85 62.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -91.13 158.05 16.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.3 m -87.52 0.33 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 31.2 m80 -109.18 13.67 24.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 18.1 p -121.58 105.85 10.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -115.78 131.0 57.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -135.22 149.42 49.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.532 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 10.5 p90 -145.35 134.42 22.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 28.8 mt -100.37 127.61 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 11.1 ptm -116.14 157.54 24.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -99.0 104.88 16.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 51.2 p -85.65 -48.07 9.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -113.38 -141.8 8.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -79.19 -68.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.32 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -113.55 27.77 9.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -97.5 136.81 37.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -131.65 122.86 26.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -117.08 119.74 36.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.7 t -98.14 115.87 29.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' HIS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 92.0 m-70 -102.76 126.76 50.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.444 HG11 HD22 ' A' ' 69' ' ' LEU . 19.9 t -100.02 144.57 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 45.0 m-85 -148.23 129.81 14.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 31.6 t-105 -88.23 126.06 34.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.448 ' SG ' HG21 ' A' ' 168' ' ' VAL . 85.6 m -116.35 148.69 40.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.541 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 16.5 mt-10 -140.41 152.06 65.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.0 Cg_endo -69.73 0.19 5.84 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.372 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.488 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 26.6 p30 -173.22 169.8 4.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -96.59 33.06 1.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.452 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -80.6 -36.55 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -81.17 -52.58 7.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.448 HG21 ' SG ' ' A' ' 161' ' ' CYS . 53.8 t -50.97 -65.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 2.2 m -43.37 -48.11 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -57.07 -49.22 76.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -55.85 -37.9 69.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.96 -50.33 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -54.33 -63.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -45.98 -43.77 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.061 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -52.01 -39.71 59.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 79.8 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.827 0.346 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.2 p -60.82 -53.13 61.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 21' ' ' MET . 13.1 ptpt -59.61 -38.9 82.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.452 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 4.5 mtp -62.91 -44.13 96.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -70.23 -5.73 29.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -99.09 -57.24 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -107.47 -61.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.16 -150.39 17.9 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.514 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.481 ' CE2' ' HG3' ' A' ' 173' ' ' GLN . 24.3 t80 -148.49 109.8 4.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.934 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -101.79 109.83 21.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -56.51 119.21 26.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -42.76 3.11 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.301 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.7 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.025 HG23 ' HB2' ' A' ' 107' ' ' ALA . 7.2 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.785 0.326 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 106' ' ' VAL . 21.1 mt-30 -106.76 119.05 38.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.25 150.87 42.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -136.75 177.75 7.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -112.96 106.73 15.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.3 m -131.85 171.58 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -112.46 156.95 21.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.51 129.56 45.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.426 HD22 HG11 ' A' ' 158' ' ' VAL . 2.9 mp -94.47 -56.4 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 147.96 152.21 5.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.443 ' HG3' ' CE1' ' A' ' 157' ' ' HIS . 16.9 ttp -76.02 138.77 41.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.718 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -133.49 125.63 18.73 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.618 0.723 . . . . 0.0 110.917 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.718 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.77 133.12 24.77 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.375 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.3 m -119.01 173.71 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -104.43 -26.29 12.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -130.31 148.67 70.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -22.78 31.46 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.679 2.252 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.856 HG12 ' HB2' ' A' ' 133' ' ' PHE . 11.2 m -136.21 172.62 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.69 118.51 3.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.3 mmt -54.27 -51.12 65.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -50.77 -25.03 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.7 m -85.44 -44.32 12.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.75 -55.87 17.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -54.13 -28.02 37.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.96 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.491 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 7.2 t -64.43 -43.95 92.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.54 -47.02 71.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 65.4 mt -50.62 -54.19 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -65.79 -33.06 74.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.547 ' O ' HG22 ' A' ' 92' ' ' THR . 20.3 m-20 -58.9 -51.57 69.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.55 HD22 HD23 ' A' ' 72' ' ' LEU . 1.4 mm? -73.02 -43.47 62.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 55.0 mtp -47.89 -40.46 21.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 89' ' ' ASN . 5.0 t -82.86 -22.61 34.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 28.0 t -74.04 -31.76 63.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -137.41 177.56 7.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.587 ' O ' ' CD1' ' A' ' 99' ' ' TRP . 70.6 m -102.0 166.5 10.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.825 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.54 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 55.3 tttm -67.32 -37.14 82.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -82.95 -24.97 32.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -69.48 -28.78 66.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 95' ' ' SER . 22.6 m0 -57.73 121.23 47.86 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.545 0.688 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 141.12 44.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.63 2.22 . . . . 0.0 112.378 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.7 m -75.39 140.42 42.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.6 m -150.81 144.62 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -92.76 130.02 38.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.1 tpp -96.53 146.2 25.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -117.82 133.36 56.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.651 ' O ' HG12 ' A' ' 106' ' ' VAL . 40.3 t -125.52 44.24 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 1.025 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -90.1 148.84 22.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.9 t70 42.31 51.34 4.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.693 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 43.75 38.94 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.7 m -123.75 136.33 54.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 63.6 t -103.82 114.27 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.631 ' CG2' HG23 ' A' ' 122' ' ' VAL . 18.4 m -129.08 118.26 22.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.3 t -81.0 96.66 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.403 HG23 ' O ' ' A' ' 119' ' ' GLU . 7.9 mm -87.29 143.34 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -78.04 160.5 28.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -81.09 -42.26 21.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -74.62 -35.54 62.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -125.75 128.47 47.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 114' ' ' ILE . 19.9 tt0 -85.17 -38.44 19.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -87.71 29.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.402 ' C ' HG12 ' A' ' 122' ' ' VAL . 6.5 tp10 -89.28 -33.53 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 122' ' ' VAL . 7.1 p 40.7 48.73 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 122' ' ' VAL . 12.7 mt -34.65 -45.19 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 98.4 t -139.91 138.55 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -128.01 98.47 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.4 t -117.59 151.5 37.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -116.99 167.51 11.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 109' ' ' ALA . 18.4 m -76.56 -35.36 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 130' ' ' PHE . 1.4 ppt_? -69.21 -7.14 33.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 129' ' ' ARG . 3.7 m-85 -110.23 -27.1 9.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 134' ' ' MET . 1.8 tt -53.89 133.95 42.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.3 m -98.67 -63.6 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.856 ' HB2' HG12 ' A' ' 78' ' ' VAL . 28.6 t80 -133.03 151.71 52.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.572 ' HB3' HD21 ' A' ' 131' ' ' LEU . 4.9 ptp -158.81 120.14 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -143.01 -161.53 8.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.5 t -123.94 140.98 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -82.49 -175.34 50.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -47.67 -34.81 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -98.31 148.39 23.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 165' ' ' ALA . 25.4 m -76.24 -7.14 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -104.36 12.97 32.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.1 p -116.41 112.63 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -124.23 132.18 53.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -137.85 142.26 40.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.069 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -138.26 141.23 39.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 20.6 mt -105.95 129.71 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.2 ptm -114.38 165.82 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -108.68 108.62 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 63.2 p -85.56 -43.52 13.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 144.77 153.96 6.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 71.53 44.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 51.57 30.01 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -101.58 135.73 42.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -129.41 124.5 34.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.416 ' CD ' ' SD ' ' A' ' 71' ' ' MET . 15.4 mm-40 -106.86 141.03 38.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.4 t -111.27 110.45 20.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' HIS . . . . . 0.443 ' CE1' ' HG3' ' A' ' 71' ' ' MET . 90.0 m-70 -105.4 126.49 52.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.426 HG11 HD22 ' A' ' 69' ' ' LEU . 14.7 t -105.96 151.09 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.154 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 49.8 m-85 -149.39 140.77 23.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.527 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 46.9 t-105 -90.44 117.19 28.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.481 ' SG ' HG21 ' A' ' 168' ' ' VAL . 79.6 m -104.01 155.34 18.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.547 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 82.2 mt-10 -154.74 151.43 23.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.671 0.748 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.72 -0.69 6.23 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.328 0.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.471 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 50.8 p30 -167.45 173.25 8.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -86.49 -12.68 48.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -47.98 -41.8 26.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.52 -57.95 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.481 HG21 ' SG ' ' A' ' 161' ' ' CYS . 83.8 t -61.31 -68.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 168' ' ' VAL . 35.3 p -35.12 -35.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 168' ' ' VAL . 25.3 tt0 -77.28 -57.6 3.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -46.18 -38.4 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 88.1 t -71.29 -54.34 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.143 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . 0.481 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 3.3 tt0 -51.92 -57.32 9.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -50.43 -36.13 31.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.693 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -64.91 -41.95 95.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 94.4 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.527 ' CD2' HG21 ' A' ' 136' ' ' VAL . 17.7 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.804 0.335 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.0 m -65.57 -56.06 14.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 21' ' ' MET . 3.7 ptmm? -56.39 -34.16 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.466 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 12.0 mtp -67.17 -40.69 86.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -70.18 -35.77 74.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -62.44 -64.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -111.42 -57.24 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.03 -165.69 12.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.465 ' CD1' ' HE3' ' A' ' 134' ' ' MET . 18.9 t80 -119.16 100.45 7.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 0.0 110.882 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.512 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 30.8 mp0 -94.24 115.77 28.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 18.5 t-20 -60.74 114.18 9.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.568 0.699 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 -28.09 25.32 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.458 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.4 p . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.786 0.326 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -116.02 138.91 50.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -121.26 115.32 22.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -106.86 133.43 51.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -83.0 101.25 10.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.0 m -127.97 171.61 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -113.21 152.62 29.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -99.08 128.95 45.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.476 HD22 HG11 ' A' ' 158' ' ' VAL . 2.7 mp -99.49 -44.57 6.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 134.91 170.41 12.18 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 12.9 tmm? -92.01 141.79 28.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.593 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -133.31 127.02 19.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.907 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.593 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.9 Cg_endo -69.75 128.81 16.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.7 m -114.93 172.6 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -96.15 -28.14 14.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -135.48 149.25 68.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.631 0.729 . . . . 0.0 110.847 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -22.97 31.53 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.732 2.288 . . . . 0.0 112.345 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.597 HG12 ' HB2' ' A' ' 133' ' ' PHE . 14.5 m -130.1 170.51 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.23 102.2 2.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 83' ' ' LEU . 1.6 mmt -42.02 -61.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 80' ' ' MET . 2.9 m-20 -37.11 -42.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.6 m -66.38 -45.09 81.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 80' ' ' MET . 2.0 tp -59.25 -51.97 67.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -50.27 -32.27 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.42 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 10.4 t -62.71 -43.93 97.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.72 -54.49 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.062 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.435 ' CG2' HG21 ' A' ' 142' ' ' THR . 56.7 mt -46.37 -56.02 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.44 -45.34 93.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 85' ' ' SER . 24.0 m-20 -45.82 -58.53 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 72' ' ' LEU . 4.3 mm? -66.41 -51.17 59.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 68.6 mtp -42.49 -40.19 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.2 p -77.05 -42.73 37.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.155 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -58.91 -52.5 65.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.3 m -118.31 157.17 27.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 m -86.46 162.21 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.518 ' HA ' ' CD2' ' A' ' 99' ' ' TRP . 23.4 tttm -54.26 -41.96 69.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -73.91 -33.05 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.86 -28.63 64.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.518 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 6.8 m0 -67.85 120.47 74.03 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.585 0.707 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 153.45 69.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.364 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.6 p -82.37 130.34 35.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.8 m -141.44 148.82 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -97.32 138.07 35.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 50.4 ttm -105.17 130.98 53.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.459 ' ND2' HG13 ' A' ' 114' ' ' ILE . 12.3 m-20 -104.33 135.1 46.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 t -124.61 38.19 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.458 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -85.35 151.16 24.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 t70 44.08 47.57 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.538 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 44.82 35.12 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.467 HG23 ' HD3' ' A' ' 127' ' ' ARG . 62.7 m -121.18 144.54 48.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.5 t -110.93 113.5 44.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.946 ' CG2' HG13 ' A' ' 122' ' ' VAL . 31.6 m -128.05 111.25 13.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.543 HG12 HD12 ' A' ' 123' ' ' LEU . 62.8 t -68.85 92.17 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.459 HG13 ' ND2' ' A' ' 105' ' ' ASN . 19.2 mm -82.59 139.91 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.448 ' CB ' ' HG2' ' A' ' 121' ' ' GLU . 1.2 t -78.49 147.58 33.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.417 ' CD ' ' O ' ' A' ' 116' ' ' GLU . 0.6 OUTLIER -73.05 -17.1 61.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -73.01 -25.79 61.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -164.38 149.61 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -75.5 -45.06 40.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -64.79 -15.24 61.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.448 ' HG2' ' CB ' ' A' ' 115' ' ' SER . 7.8 tp10 -70.72 104.05 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.946 HG13 ' CG2' ' A' ' 112' ' ' THR . 89.1 t -102.6 87.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.543 HD12 HG12 ' A' ' 113' ' ' VAL . 13.0 mt -58.61 -46.75 86.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 57.9 t -141.05 139.62 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -125.61 101.16 6.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.2 t -117.37 146.42 43.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.467 ' HD3' HG23 ' A' ' 110' ' ' THR . 5.6 mmt85 -117.63 144.81 44.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.462 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 8.2 m -51.73 -20.02 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 18.6 mmt-85 -74.35 -34.86 63.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -86.44 -25.63 25.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.636 HD21 ' HB3' ' A' ' 134' ' ' MET . 3.1 tt -56.79 126.81 28.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.2 p -98.38 -59.65 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.597 ' HB2' HG12 ' A' ' 78' ' ' VAL . 12.8 t80 -133.38 151.77 51.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.636 ' HB3' HD21 ' A' ' 131' ' ' LEU . 4.2 ptp -159.04 118.96 3.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -150.43 -172.99 20.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.527 HG21 ' CD2' ' A' ' 18' ' ' LEU . 67.2 t -114.64 138.62 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 111.18 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -82.0 -169.57 43.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -41.93 -53.13 3.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.75 0.31 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.46 160.55 26.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.435 ' CG1' HD13 ' A' ' 18' ' ' LEU . 31.6 m -92.07 -4.38 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.516 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 32.3 m80 -106.49 19.24 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.435 HG21 ' CG2' ' A' ' 87' ' ' ILE . 7.9 p -123.84 105.14 9.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -116.33 128.34 55.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -132.0 148.27 52.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 12.8 p90 -142.69 129.84 20.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 16.9 mt -97.71 131.88 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.9 ptm -120.79 166.27 13.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.91 115.11 29.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 30.1 p -107.19 39.18 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 69.35 158.73 1.84 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 152' ' ' GLN . 6.9 t-20 62.13 47.18 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.321 . . . . 0.0 110.89 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 151' ' ' ASN . 3.6 pt20 37.71 33.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -89.22 150.34 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -132.9 118.65 19.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -109.77 114.31 27.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.6 t -92.84 107.97 19.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' HIS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 94.2 m-70 -102.95 128.05 49.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.476 HG11 HD22 ' A' ' 69' ' ' LEU . 38.9 t -103.02 142.9 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 35.4 m-85 -144.45 133.1 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.516 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 24.1 t-105 -84.96 124.81 32.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.499 ' SG ' HG21 ' A' ' 168' ' ' VAL . 69.7 m -107.61 162.56 13.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.548 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 23.4 mt-10 -159.37 150.11 15.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.641 0.734 . . . . 0.0 110.909 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.76 1.25 5.4 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.325 0.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.582 ' ND2' ' HB3' ' A' ' 166' ' ' ALA . 36.6 p-10 -174.51 158.48 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -64.74 -30.17 71.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.582 ' HB3' ' ND2' ' A' ' 164' ' ' ASN . . . -40.56 -35.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -69.45 -65.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.499 HG21 ' SG ' ' A' ' 161' ' ' CYS . 86.3 t -57.35 -64.15 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 168' ' ' VAL . 95.1 p -36.74 -47.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -61.32 -54.72 40.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.11 -39.16 59.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.11 -54.36 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -41.58 -56.14 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -54.59 -45.76 73.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.538 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -50.78 -44.85 58.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 98.5 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.922 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.712 HD13 ' HB ' ' A' ' 140' ' ' VAL . 16.0 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.845 0.355 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.5 t -57.87 -68.48 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -46.86 -27.41 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 75.9 mmm -75.94 -40.37 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -73.57 -18.95 61.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -89.68 -48.06 7.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.85 -63.21 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.96 -144.44 18.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' A' ' 173' ' ' GLN . 19.4 t80 -157.3 111.39 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 110.939 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -98.5 105.66 17.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.416 ' HA ' ' HD2' ' A' ' 29' ' ' PRO . 42.3 t-20 -61.9 110.92 3.67 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 28' ' ' ASN . 54.4 Cg_endo -69.74 -28.75 24.99 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.628 2.219 . . . . 0.0 112.385 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.107 HG23 ' HB2' ' A' ' 107' ' ' ALA . 12.7 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.81 0.338 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -130.3 139.91 50.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.21 120.41 35.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.402 ' HE2' HG21 ' A' ' 106' ' ' VAL . 91.5 m-85 -113.02 153.05 28.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -100.28 109.59 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.6 m -137.97 167.07 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -106.65 158.29 17.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -101.36 128.97 47.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.595 HD13 HG12 ' A' ' 158' ' ' VAL . 3.1 mp -97.78 -49.46 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.06 164.32 9.84 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.44 ' HG2' ' N ' ' A' ' 72' ' ' LEU . 19.4 ttp -83.82 148.8 26.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.659 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -139.37 128.17 13.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.587 0.708 . . . . 0.0 110.967 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.659 ' HD2' HD13 ' A' ' 72' ' ' LEU . 54.2 Cg_endo -69.72 130.71 19.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.4 m -119.56 179.18 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -116.7 -22.3 8.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.3 mmt-85 -130.28 143.55 49.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.622 0.725 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -23.0 31.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.388 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.92 HG12 ' HB2' ' A' ' 133' ' ' PHE . 35.4 m -139.61 167.88 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.45 110.15 2.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.6 mmt -40.56 -57.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -38.69 -44.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.2 m -66.75 -49.97 64.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.487 HD11 ' O ' ' A' ' 144' ' ' ALA . 4.3 tp -56.82 -51.93 67.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -62.57 -23.58 67.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.5 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 32.3 t -71.11 -42.85 68.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.2 -49.79 58.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.5 mt -50.89 -55.97 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -60.49 -35.69 76.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.5 m-20 -58.9 -56.34 23.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 90' ' ' LEU . 1.6 mm? -70.56 -29.04 65.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.5 mtp -64.37 -34.83 79.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 89' ' ' ASN . 4.0 t -91.69 -20.13 21.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.141 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.3 m -69.24 -52.83 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.8 m -119.0 -179.01 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.4 m -96.2 170.43 9.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.532 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 72.2 tttt -64.54 -36.82 85.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.94 -36.17 31.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -49.5 -25.06 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.532 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 7.9 m0 -73.82 115.66 44.36 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.533 0.682 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 145.5 57.24 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.6 m -71.33 142.32 50.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 30.9 m -152.29 143.54 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -93.23 126.57 38.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.549 ' SD ' HG22 ' A' ' 113' ' ' VAL . 24.0 tpp -96.1 136.71 36.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -110.57 147.85 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.604 ' O ' HG12 ' A' ' 106' ' ' VAL . 18.0 t -133.86 27.57 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 1.107 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -70.66 143.9 51.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.6 t70 46.14 48.69 12.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.521 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 44.53 36.87 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.599 HG23 ' HG2' ' A' ' 127' ' ' ARG . 98.3 m -120.93 141.47 50.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.1 t -103.47 118.84 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.9 m -133.65 103.08 5.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.549 HG22 ' SD ' ' A' ' 104' ' ' MET . 87.3 t -71.37 93.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.3 mm -83.25 154.14 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.2 t -77.55 165.58 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.42 -34.33 15.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -67.3 -33.41 75.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -140.71 162.41 35.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -101.36 -12.55 18.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -103.42 19.11 20.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -106.74 78.32 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.49 103.79 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.11 -43.88 32.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 80.4 t -137.26 126.54 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -114.32 94.22 4.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.8 t -121.44 155.17 35.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.599 ' HG2' HG23 ' A' ' 110' ' ' THR . 38.5 mtt180 -127.77 173.07 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 109' ' ' ALA . 17.7 m -73.3 -20.42 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -74.36 -21.9 59.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -103.78 -19.91 14.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.531 HD22 ' HE2' ' A' ' 134' ' ' MET . 2.4 tt -66.24 125.75 26.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.425 ' N ' HD23 ' A' ' 131' ' ' LEU . 8.0 m -97.6 -63.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.92 ' HB2' HG12 ' A' ' 78' ' ' VAL . 13.6 t80 -125.9 152.68 45.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.531 ' HE2' HD22 ' A' ' 131' ' ' LEU . 2.5 ptt? -158.82 107.89 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.412 ' O ' HD21 ' A' ' 83' ' ' LEU . . . -135.55 -174.07 13.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.468 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.3 t -121.71 134.01 66.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 111.094 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -68.53 -169.63 5.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -49.29 -44.9 44.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -87.29 153.89 21.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.847 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.712 ' HB ' HD13 ' A' ' 18' ' ' LEU . 13.1 m -85.97 8.26 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.525 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 7.4 m80 -113.05 14.07 19.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 3.5 p -122.57 109.37 14.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -121.35 129.42 53.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.487 ' O ' HD11 ' A' ' 83' ' ' LEU . . . -139.05 148.15 42.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 10.7 p90 -140.9 137.02 32.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.4 mt -101.0 123.63 54.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.6 ptm -115.48 169.05 9.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -109.74 125.12 52.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 59.8 p -104.01 -39.77 6.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -125.93 -138.27 4.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -75.96 -66.37 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -118.09 15.92 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -88.25 129.2 35.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -128.38 133.48 48.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -113.7 117.16 30.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.22 110.98 22.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -106.1 133.09 51.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.595 HG12 HD13 ' A' ' 69' ' ' LEU . 58.6 t -112.77 144.05 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -144.64 139.7 28.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.525 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 16.5 t-105 -92.66 120.17 32.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 34.5 m -105.35 157.53 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.545 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 35.3 mt-10 -151.59 150.53 26.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.89 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.4 Cg_endo -69.71 0.5 5.68 Favored 'Cis proline' 0 C--N 1.34 0.129 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.331 -0.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.482 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 32.4 p30 -164.69 179.04 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.522 ' C ' HD21 ' A' ' 18' ' ' LEU . . . -103.58 29.17 5.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -83.2 -60.01 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -54.23 -24.18 17.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 88.9 t -86.18 -62.86 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 79.9 p -53.37 -32.16 48.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -76.4 -50.91 12.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.26 89.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.13 -38.64 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . 0.436 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 29.9 tt0 -59.57 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.85 -43.2 38.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.521 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -44.36 -50.85 8.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.081 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 79.9 m . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.887 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.785 HD11 ' HB2' ' A' ' 166' ' ' ALA . 16.6 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.75 0.309 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.1 m -63.79 -39.81 95.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' CG ' ' N ' ' A' ' 21' ' ' MET . 0.1 OUTLIER -69.62 -42.03 74.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.403 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 24.0 mmm -61.32 -30.83 70.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -82.9 -27.46 30.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -75.85 -68.55 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -102.86 -64.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.63 -146.24 17.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -147.5 117.41 7.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 110.949 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -102.64 107.76 18.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -64.57 111.33 5.44 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.667 0.746 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -43.18 2.88 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.722 2.281 . . . . 0.0 112.365 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.2 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.696 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.7 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.785 0.326 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -105.06 131.93 51.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.79 123.05 42.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -115.04 153.23 31.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 65' ' ' ARG . 15.5 ttm105 -105.86 97.86 7.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 161' ' ' CYS . 27.5 m -124.17 160.93 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -99.36 154.02 18.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.48 128.78 45.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.973 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mp -93.71 -51.03 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 146.48 166.4 12.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.457 ' SD ' ' CD ' ' A' ' 155' ' ' GLU . 11.1 ttp -87.72 142.39 27.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.71 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -140.43 127.04 12.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.568 0.699 . . . . 0.0 110.944 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.71 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.4 Cg_endo -69.78 152.27 69.17 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.706 2.27 . . . . 0.0 112.334 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.467 HG13 ' HB2' ' A' ' 156' ' ' CYS . 28.8 m -136.51 174.25 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -111.39 -18.22 12.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -131.42 143.25 48.45 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 154' ' ' PHE . 53.5 Cg_endo -69.73 -23.74 30.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.622 2.215 . . . . 0.0 112.366 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.693 HG12 ' HB2' ' A' ' 133' ' ' PHE . 15.6 m -138.3 175.62 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.7 124.97 4.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.6 mmt -54.9 -62.4 1.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -42.51 -42.98 3.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.3 m -63.91 -39.46 94.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.45 -62.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -44.94 -30.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.496 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 16.7 t -56.74 -44.54 81.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.03 -50.43 62.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 71.6 mt -51.22 -56.6 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.53 -34.93 73.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 85' ' ' SER . 19.0 m-20 -60.02 -59.12 5.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 72' ' ' LEU . 1.9 mm? -66.22 -38.36 87.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.6 mtp -51.7 -47.77 63.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 89' ' ' ASN . 3.8 t -80.37 -18.85 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.0 t -69.29 -54.57 13.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.0 m -119.95 -177.66 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.415 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 28.8 m -95.04 168.59 10.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.817 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.528 ' HA ' ' CH2' ' A' ' 99' ' ' TRP . 72.7 tttt -67.08 -33.43 75.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -87.07 -29.64 21.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -57.07 -23.51 47.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.535 ' CZ3' ' CE3' ' A' ' 160' ' ' TRP . 10.5 m0 -68.53 120.17 73.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.55 0.69 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 140.87 43.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.636 2.224 . . . . 0.0 112.325 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.1 m -72.49 137.93 46.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 66' ' ' VAL . 18.7 m -145.16 155.34 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -102.73 125.67 49.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 48.7 ttm -96.35 132.88 41.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -109.63 140.16 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.6 41.75 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.696 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -86.6 149.21 25.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.5 t0 47.61 42.6 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.491 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 48.59 30.26 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.6 m -118.0 144.54 45.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.8 t -101.56 129.4 52.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.531 HG23 HG13 ' A' ' 122' ' ' VAL . 9.7 m -143.94 106.63 4.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.578 HG12 HD12 ' A' ' 123' ' ' LEU . 49.0 t -76.29 93.6 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 9.2 mm -82.25 152.35 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.2 t -87.73 131.49 34.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.86 -42.45 84.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -59.59 -42.08 91.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -131.44 120.33 22.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -66.32 -33.55 75.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -87.89 37.11 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -127.09 101.87 6.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.531 HG13 HG23 ' A' ' 112' ' ' THR . 55.7 t -90.72 88.51 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.578 HD12 HG12 ' A' ' 113' ' ' VAL . 8.9 mt -56.44 -37.71 70.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 77.5 t -149.93 127.86 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.427 ' HB2' HG11 ' A' ' 122' ' ' VAL . 32.4 tt0 -113.12 103.25 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.07 149.99 48.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -113.46 176.15 5.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 109' ' ' ALA . 8.8 m -81.33 -19.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -78.38 -24.24 46.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -91.89 -24.5 19.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.675 HD22 ' HE2' ' A' ' 134' ' ' MET . 2.6 tt -58.33 126.75 28.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 78.4 p -96.81 -55.91 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.693 ' HB2' HG12 ' A' ' 78' ' ' VAL . 29.6 t80 -137.03 149.06 47.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.675 ' HE2' HD22 ' A' ' 131' ' ' LEU . 2.7 ptp -150.61 120.48 7.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -150.69 -170.8 18.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.1 143.98 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 111.174 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -78.61 -169.59 36.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -50.38 -34.14 23.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.76 159.74 14.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 31.5 m -88.11 -1.45 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.448 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 22.9 m80 -106.88 9.66 30.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.01 109.22 15.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -122.49 132.58 54.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -137.57 149.18 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.452 ' C ' ' CD1' ' A' ' 145' ' ' PHE . 6.6 p90 -138.63 143.25 39.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 56.8 mt -105.77 128.02 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.9 ptm -118.86 161.49 20.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -98.98 108.27 20.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 81.9 p -83.17 -43.53 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -119.21 -145.3 7.6 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -72.24 -56.19 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.758 0.313 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -124.02 11.4 8.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -83.45 133.55 34.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.561 ' CE2' ' HD3' ' A' ' 77' ' ' PRO . 1.4 m-85 -123.36 122.07 37.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.457 ' CD ' ' SD ' ' A' ' 71' ' ' MET . 3.1 tp10 -105.35 124.08 48.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . 0.467 ' HB2' HG13 ' A' ' 74' ' ' VAL . 1.8 t -97.99 131.83 44.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' HIS . . . . . 0.517 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 72.0 m-70 -129.11 132.6 47.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 13.6 t -111.18 150.41 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 36.3 m-85 -150.84 144.48 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.535 ' CE3' ' CZ3' ' A' ' 99' ' ' TRP . 25.8 t-105 -95.15 121.85 37.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.497 ' HA ' HG12 ' A' ' 66' ' ' VAL . 28.0 m -102.98 159.91 15.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.547 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 50.1 mt-10 -157.12 148.05 16.48 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.4 Cg_endo -69.79 1.05 5.52 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.329 0.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.494 ' N ' ' OD1' ' A' ' 164' ' ' ASN . 5.1 p-10 -168.16 170.55 10.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -83.36 -13.32 55.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.07 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.785 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -51.34 -43.78 61.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.074 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -60.74 -58.6 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 169' ' ' SER . 74.1 t -65.49 -69.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 168' ' ' VAL . 66.3 p -35.32 -34.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 168' ' ' VAL . 7.2 tp10 -74.98 -52.44 11.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.58 -34.44 58.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 92.5 t -72.63 -52.81 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -47.64 -46.25 28.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.16 94.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -52.63 -46.28 66.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.896 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.524 HD13 ' HB ' ' A' ' 140' ' ' VAL . 15.7 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.766 0.317 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -51.2 -49.97 59.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.8 pttt -47.32 -34.74 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.2 mtp -75.52 -41.31 55.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -70.13 -21.88 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -87.44 -53.99 4.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -114.54 -61.31 1.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.69 -151.86 17.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.552 ' CE2' ' HG2' ' A' ' 173' ' ' GLN . 1.2 t80 -141.01 114.25 8.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -104.09 107.91 19.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 45.1 t-20 -72.78 113.19 19.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.605 0.717 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -44.53 1.98 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.649 2.232 . . . . 0.0 112.335 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.4 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.767 HG23 ' HB2' ' A' ' 107' ' ' ALA . 3.5 p . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.854 0.359 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -119.93 139.93 51.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -127.81 115.9 19.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -113.45 138.6 49.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -87.78 105.48 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.8 m -129.04 172.99 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -112.34 149.72 32.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -96.0 129.93 43.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.429 HD22 ' CG1' ' A' ' 158' ' ' VAL . 3.1 mp -98.35 -53.15 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 143.28 163.96 10.04 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.536 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.432 ' HB2' ' CE1' ' A' ' 157' ' ' HIS . 14.5 ttp -84.71 146.21 27.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.716 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -137.53 128.28 15.92 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.917 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.716 ' HD2' HD13 ' A' ' 72' ' ' LEU . 54.5 Cg_endo -69.7 122.98 9.67 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.349 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.7 m -109.51 168.29 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -100.32 -25.23 14.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -134.24 144.71 52.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.576 0.703 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -23.01 31.05 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.715 HG12 ' HB2' ' A' ' 133' ' ' PHE . 29.7 m -132.15 161.65 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.16 122.73 2.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.8 mmt -61.05 -45.22 95.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.779 0.323 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.45 -19.41 47.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.5 m -88.54 -37.92 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 tp -69.43 -55.58 9.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -50.0 -30.52 10.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.491 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 11.2 t -60.91 -37.37 82.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.66 -47.91 57.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.459 ' O ' ' CG ' ' A' ' 91' ' ' MET . 77.7 mt -53.05 -56.42 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.73 -33.23 71.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 85' ' ' SER . 18.1 m-20 -60.59 -70.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.589 ' CD2' HD23 ' A' ' 72' ' ' LEU . 3.9 mm? -57.11 -32.18 66.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 87' ' ' ILE . 40.6 mmm -60.38 -32.59 71.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.4 p -87.82 -40.7 13.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.2 m -59.32 -50.8 72.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.2 m -120.4 169.63 10.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.9 m -105.41 179.18 4.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.579 ' HD2' ' CZ3' ' A' ' 99' ' ' TRP . 17.0 tptp -66.39 -36.13 82.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -73.83 -20.05 60.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -77.38 -29.36 53.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.579 ' CZ3' ' HD2' ' A' ' 96' ' ' LYS . 10.4 m0 -69.03 111.78 9.54 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.698 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 138.5 38.06 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.266 . . . . 0.0 112.334 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 m -67.33 127.3 32.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 31.6 m -135.47 149.07 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -96.56 120.35 36.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.7 ttm -89.71 133.48 34.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -112.54 139.12 48.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 106' ' ' VAL . 9.6 t -129.15 44.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.767 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -89.89 148.27 23.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 t70 49.25 39.48 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.686 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 52.65 30.49 8.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.552 HG23 ' CG ' ' A' ' 127' ' ' ARG . 28.6 m -117.78 142.64 47.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.6 t -106.31 113.87 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 99.0 m -128.16 119.18 24.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.86 99.45 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 13.7 mm -90.32 150.64 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -81.72 124.04 29.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.81 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.401 ' O ' ' CD ' ' A' ' 116' ' ' GLU . 1.7 tm-20 -54.32 -20.25 6.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.04 -45.31 34.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -141.79 136.41 30.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.4 -43.48 81.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 0.6 OUTLIER -62.23 -19.59 63.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -75.73 85.91 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 122' ' ' VAL . 0.3 OUTLIER -88.83 91.27 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.153 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.41 -67.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 90.8 t -117.02 144.94 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -133.23 95.2 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.2 t -117.32 163.87 15.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.552 ' CG ' HG23 ' A' ' 110' ' ' THR . 17.9 mtt-85 -128.9 173.74 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 109' ' ' ALA . 30.9 m -78.7 -33.15 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.1 mtt-85 -62.07 -33.67 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -87.69 -26.94 22.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.765 HD21 ' HB3' ' A' ' 134' ' ' MET . 2.0 tt -53.39 121.29 7.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 88.9 p -92.39 -61.0 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.715 ' HB2' HG12 ' A' ' 78' ' ' VAL . 52.0 t80 -133.97 146.12 50.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.765 ' HB3' HD21 ' A' ' 131' ' ' LEU . 3.5 ptp -150.74 116.15 5.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -144.27 -173.56 15.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.4 t -122.33 145.57 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 111.135 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -79.11 -169.91 37.98 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -48.02 -44.64 31.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.762 0.315 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -89.41 146.3 24.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.524 ' HB ' HD13 ' A' ' 18' ' ' LEU . 30.4 m -85.27 18.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 13.3 m80 -117.78 13.93 14.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 71.2 p -132.69 112.08 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -117.42 128.2 54.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -131.3 148.47 52.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 6.7 p90 -140.01 134.18 31.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.3 mt -99.86 123.91 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.8 ptm -111.16 170.58 8.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -110.43 119.44 39.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 59.0 p -104.45 -45.02 4.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -115.08 -140.31 7.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -82.71 -61.39 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -117.86 11.63 13.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -87.89 138.03 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -137.08 133.72 35.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -110.96 125.02 53.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 6.2 t -104.37 108.71 20.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' HIS . . . . . 0.432 ' CE1' ' HB2' ' A' ' 71' ' ' MET . 87.2 m-70 -104.1 126.59 51.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.429 ' CG1' HD22 ' A' ' 69' ' ' LEU . 41.6 t -102.72 144.34 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -143.57 142.68 31.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.578 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 30.3 t-105 -98.07 131.17 44.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 66.1 m -116.21 158.96 22.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.554 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 54.1 mt-10 -148.69 146.6 22.49 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.65 0.738 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.1 Cg_endo -69.75 1.5 5.27 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.638 -1.817 . . . . 0.0 112.379 -0.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.457 ' N ' ' OD1' ' A' ' 164' ' ' ASN . 6.2 p-10 -171.81 173.43 4.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -94.62 27.04 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.499 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -74.87 -56.3 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.058 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -55.48 -52.99 61.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 94.2 t -58.04 -63.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 82.4 p -44.2 -45.64 8.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.31 -42.22 93.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -60.54 -44.07 96.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.069 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 175' ' ' ALA . 96.3 t -65.79 -37.37 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' GLN . . . . . 0.552 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 4.3 mt-30 -55.07 -63.5 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.67 -42.37 34.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 172' ' ' VAL . . . -41.19 -48.79 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 64.8 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.919 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m -52.24 105.66 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.906 0.384 . . . . 0.0 110.823 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -150.35 119.7 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.73 -134.98 3.23 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.441 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t 63.21 33.77 13.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.927 0.394 . . . . 0.0 110.87 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 p -87.65 -43.69 11.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.83 94.07 0.66 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.473 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -162.24 133.78 5.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.35 . . . . 0.0 110.837 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.62 83.54 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.95 81.46 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.7 p -134.72 148.76 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -82.77 153.28 67.39 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.566 0.698 . . . . 0.0 111.108 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -21.95 33.0 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.666 2.244 . . . . 0.0 112.374 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.58 ' OE1' ' HB1' ' A' ' 166' ' ' ALA . 34.7 mm-40 -79.43 -26.65 41.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' OE2' HG11 ' A' ' 140' ' ' VAL . 79.0 mm-40 -81.98 -29.26 32.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -49.25 -38.35 26.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -85.96 -56.07 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.519 ' CD2' HG21 ' A' ' 136' ' ' VAL . 24.2 mt -46.12 -27.96 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 t -59.3 -60.37 3.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -54.43 -30.96 54.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.461 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 10.0 mtp -67.78 -42.14 82.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -73.13 -27.26 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -70.95 -65.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.401 ' H ' ' ND2' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -103.42 -60.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.05 -149.73 17.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.478 ' CE1' ' SG ' ' A' ' 176' ' ' CYS . 2.3 t80 -143.99 108.16 4.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 110.933 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.531 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 21.7 mp0 -104.65 122.42 45.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 32.4 t-20 -65.17 123.16 83.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -41.12 4.59 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.3 m -56.01 -38.04 69.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.546 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 33.6 t80 -54.66 -31.32 57.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -100.06 -27.96 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -85.37 7.07 23.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 1.6 p90 -81.2 38.64 0.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -90.82 -39.49 12.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -84.66 98.2 10.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 63.8 mtm -152.81 167.33 29.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -122.2 89.59 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -87.42 158.46 18.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.2 p -126.58 151.43 47.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.82 82.52 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.437 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 m -118.57 161.32 20.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.816 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.2 t -47.12 124.16 6.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.22 51.23 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.531 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.9 m -51.38 106.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 t -162.32 159.3 25.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.87 52.26 0.68 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 t -168.82 151.82 5.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.368 . . . . 0.0 110.829 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.3 t -81.28 50.37 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.24 -143.89 23.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.0 t -128.46 152.41 48.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.1 m -105.28 -48.77 3.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.08 -157.29 28.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 157.95 58.66 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.655 2.237 . . . . 0.0 112.4 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.6 p -75.22 141.64 74.31 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.548 0.689 . . . . 0.0 111.183 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 174.34 9.57 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -88.82 165.03 14.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.8 t -166.84 147.74 5.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -103.52 -44.0 5.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.8 tp -96.17 146.75 24.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.784 HG23 ' HB2' ' A' ' 107' ' ' ALA . 8.1 p -172.85 141.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -120.27 133.11 55.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.02 124.51 50.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -120.44 130.54 54.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -80.78 106.17 12.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.0 m -132.24 169.57 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -105.82 159.85 15.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -106.68 131.07 54.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.635 HD22 HG11 ' A' ' 158' ' ' VAL . 4.8 mp -99.64 -39.95 8.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.35 172.1 13.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.5 ' HG3' ' CE1' ' A' ' 157' ' ' HIS . 18.8 ttp -89.87 146.99 24.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.486 HD22 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -141.57 124.24 9.49 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.611 0.719 . . . . 0.0 110.879 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.486 ' HD2' HD22 ' A' ' 72' ' ' LEU . 53.4 Cg_endo -69.75 137.2 34.92 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.292 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.0 m -120.69 177.99 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -107.87 -22.48 12.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -134.86 146.78 60.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -25.64 28.26 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.832 HG12 ' HB2' ' A' ' 133' ' ' PHE . 21.9 m -133.6 168.79 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.16 103.49 2.18 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.464 ' HA ' ' CE ' ' A' ' 80' ' ' MET . 2.8 mmt -41.68 -57.52 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.751 0.31 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -42.78 -42.68 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -62.95 -49.33 75.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.48 -54.48 46.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -48.64 -26.84 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 t -67.55 -45.48 75.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.41 77.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.085 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.4 HG22 ' SD ' ' A' ' 91' ' ' MET . 43.7 mt -53.08 -53.95 19.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.23 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -62.71 -58.24 8.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 90' ' ' LEU . 4.3 mm? -66.93 -51.44 55.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.4 ' SD ' HG22 ' A' ' 87' ' ' ILE . 58.0 mtp -40.05 -43.34 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.8 p -73.41 -37.1 66.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.4 t -64.58 -51.03 64.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.1 m -119.3 151.79 37.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.474 ' O ' ' CE2' ' A' ' 99' ' ' TRP . 3.6 m -81.1 174.21 11.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.55 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 75.4 tttt -62.64 -38.4 90.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -81.82 -34.73 30.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -52.73 -29.75 28.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.55 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 7.5 m0 -68.39 121.37 80.34 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.546 0.688 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 167.53 24.08 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t -93.53 143.15 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 34.6 m -153.45 146.94 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -98.19 126.33 43.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 50.2 ttm -96.23 128.56 43.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -105.62 132.1 52.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 106' ' ' VAL . 11.4 t -118.99 48.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.784 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -92.58 146.91 23.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.068 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.1 t70 46.27 49.0 13.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 175' ' ' ALA . . . 43.69 31.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.073 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.66 HG23 ' CD ' ' A' ' 127' ' ' ARG . 86.7 m -119.5 142.7 48.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.9 t -104.85 121.3 56.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.472 ' CG2' HG13 ' A' ' 122' ' ' VAL . 15.2 m -133.53 104.42 6.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.671 HG12 HD12 ' A' ' 123' ' ' LEU . 62.3 t -69.52 95.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 25.0 mm -84.0 146.86 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.619 ' HA ' HD11 ' A' ' 123' ' ' LEU . 1.2 t -76.72 136.13 39.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -66.53 -38.14 86.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.5 pttt -68.22 -36.25 79.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -135.55 123.82 23.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -67.29 -42.57 83.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.81 41.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -134.29 86.41 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.472 HG13 ' CG2' ' A' ' 112' ' ' THR . 53.9 t -72.2 99.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.092 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.671 HD12 HG12 ' A' ' 113' ' ' VAL . 9.4 mt -64.7 -45.44 86.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 52.9 t -145.37 135.89 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -117.91 110.5 17.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 4.6 t -126.14 147.55 49.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.66 ' CD ' HG23 ' A' ' 110' ' ' THR . 4.8 mmt85 -118.48 142.22 47.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.597 HG11 ' C ' ' A' ' 175' ' ' ALA . 6.9 m -51.05 -23.94 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -65.68 -47.14 76.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -73.54 -32.17 64.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.593 HD21 ' HB3' ' A' ' 134' ' ' MET . 2.7 tt -50.01 125.58 12.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.525 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 63.3 p -100.74 -57.5 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.832 ' HB2' HG12 ' A' ' 78' ' ' VAL . 18.3 t80 -134.59 153.64 51.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.593 ' HB3' HD21 ' A' ' 131' ' ' LEU . 5.7 ptp -161.52 129.99 4.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -164.24 -175.57 35.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.519 HG21 ' CD2' ' A' ' 18' ' ' LEU . 60.2 t -107.55 136.32 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 111.169 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -75.86 -154.61 5.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -59.97 -40.61 89.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -91.89 152.25 20.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.435 HG11 ' OE2' ' A' ' 15' ' ' GLU . 31.3 m -80.27 -10.36 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 3.9 m80 -102.19 19.06 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.2 p -124.46 106.74 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -124.75 128.42 48.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.432 ' HB2' HG22 ' A' ' 158' ' ' VAL . . . -133.63 152.05 51.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.504 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 27.7 p90 -138.71 129.98 27.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.413 ' CG2' ' HB3' ' A' ' 154' ' ' PHE . 58.9 mt -96.0 132.96 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.3 ptm -120.93 171.71 8.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -114.68 111.31 21.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.421 HG21 ' OE2' ' A' ' 155' ' ' GLU . 14.5 p -90.61 -4.37 56.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 104.95 163.79 24.01 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 61.67 37.11 16.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 56.44 36.28 27.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -109.89 134.69 51.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.413 ' HB3' ' CG2' ' A' ' 146' ' ' ILE . 4.2 m-85 -128.37 128.86 45.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.441 ' CD ' ' SD ' ' A' ' 71' ' ' MET . 84.3 mt-10 -111.51 117.89 34.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 11.9 t -94.31 109.79 21.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . 0.5 ' CE1' ' HG3' ' A' ' 71' ' ' MET . 89.2 m-70 -102.31 127.76 49.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.635 HG11 HD22 ' A' ' 69' ' ' LEU . 51.1 t -103.38 145.7 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 0.455 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 44.0 m-85 -144.62 136.35 25.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 25.4 t-105 -92.9 122.01 34.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.668 ' SG ' HG21 ' A' ' 168' ' ' VAL . 77.4 m -111.92 151.68 28.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.552 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 16.6 mm-40 -141.91 151.42 59.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.649 0.738 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.0 Cg_endo -69.74 0.17 5.86 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.374 -0.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.482 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 4.5 p30 -168.57 174.95 6.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -97.8 29.69 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.139 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.58 ' HB1' ' OE1' ' A' ' 14' ' ' GLU . . . -79.58 -45.08 19.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.23 -67.02 0.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.668 HG21 ' SG ' ' A' ' 161' ' ' CYS . 91.3 t -38.94 -68.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.4 t -45.67 -57.62 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . 0.412 ' HA ' ' CG ' ' A' ' 173' ' ' GLN . 13.6 tt0 -45.55 -52.36 10.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -57.54 -30.75 65.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.426 ' O ' ' HB3' ' A' ' 175' ' ' ALA . 93.4 t -78.07 -20.13 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . 0.412 ' CG ' ' HA ' ' A' ' 170' ' ' GLU . 14.2 mm-40 -57.53 -58.29 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.46 -24.98 66.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.608 ' O ' ' HB1' ' A' ' 109' ' ' ALA . . . -52.72 -37.22 58.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . 0.478 ' SG ' ' CE1' ' A' ' 26' ' ' TYR . 98.4 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 t 60.23 42.15 15.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.815 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -51.12 103.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.24 131.37 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -119.04 108.65 14.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.879 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 m -94.13 -50.47 5.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.02 53.84 0.14 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -126.44 174.08 8.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.41 179.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.82 43.54 18.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.566 HG22 ' N ' ' A' ' 12' ' ' THR . 14.5 p -73.37 163.87 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.566 ' N ' HG22 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -89.23 148.03 39.75 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.56 0.695 . . . . 0.0 111.181 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.88 7.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.267 . . . . 0.0 112.361 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.711 ' O ' HD12 ' A' ' 18' ' ' LEU . 1.5 mp0 -55.78 -23.95 32.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.563 ' CG ' HG23 ' A' ' 12' ' ' THR . 56.7 mm-40 -85.74 -59.17 2.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -47.47 -56.51 6.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -55.53 -42.39 74.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.799 HD11 ' HB2' ' A' ' 166' ' ' ALA . 22.2 mt -67.12 -32.24 73.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -62.22 -58.27 8.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -32.21 32.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 mtt -65.52 -36.58 84.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -83.21 -12.7 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -92.8 -59.58 2.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -111.71 -58.96 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.73 -168.96 13.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -133.14 112.65 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.903 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.557 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 19.5 mp0 -102.93 125.39 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 19.5 t-20 -56.45 127.87 72.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.685 0.755 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -34.72 14.03 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.719 2.279 . . . . 0.0 112.355 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.8 m -62.44 -51.27 68.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -43.06 -59.29 2.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -63.14 -70.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -54.91 121.16 8.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -97.84 -46.19 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -69.09 -65.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -79.76 81.84 5.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.9 mtt -91.0 113.31 25.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -63.31 -40.51 97.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -120.8 140.48 51.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.2 m -72.43 136.58 46.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.36 43.68 1.96 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 m 37.85 33.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.865 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.7 m -111.8 125.8 54.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 130.69 50.81 0.1 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.4 p -80.16 104.09 10.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.819 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m -146.21 148.94 33.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.69 174.26 32.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.3 t -158.1 139.08 13.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' GLY . 4.8 m -155.29 158.6 39.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' SER . . . -37.86 120.69 0.88 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.471 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.2 p -132.28 162.05 31.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.84 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 m -123.73 22.94 8.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.37 83.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 110.75 2.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.9 p -116.13 148.39 41.4 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.623 0.725 . . . . 0.0 111.099 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 93.35 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -110.29 146.88 34.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.663 HG21 ' HB1' ' A' ' 107' ' ' ALA . 4.6 t -161.85 142.59 10.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -89.16 -46.75 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.0 tp -86.52 116.33 24.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.659 HG22 ' HB2' ' A' ' 107' ' ' ALA . 55.3 t -134.2 137.34 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -101.42 133.12 46.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -126.06 115.25 19.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -110.94 128.54 55.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -81.48 105.93 13.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.9 m -132.64 179.89 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -113.36 159.66 19.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.576 ' CE2' HG11 ' A' ' 113' ' ' VAL . 0.5 OUTLIER -108.77 129.05 55.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 -179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.546 HD22 HG11 ' A' ' 158' ' ' VAL . 5.0 mp -98.76 -49.34 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 138.3 163.62 9.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.472 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 11.6 tmm? -84.18 138.67 32.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.545 HD22 ' HD2' ' A' ' 73' ' ' PRO . 0.5 OUTLIER -131.05 125.13 20.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 110.879 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.545 ' HD2' HD22 ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.77 133.87 26.6 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.347 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.3 m -120.59 -178.76 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -108.65 -28.94 8.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -126.58 144.32 49.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.667 0.746 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -23.61 30.62 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.691 2.261 . . . . 0.0 112.35 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.563 HG12 ' HB2' ' A' ' 133' ' ' PHE . 25.2 m -132.15 170.84 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.26 128.57 4.44 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.49 -47.89 79.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -54.41 -21.47 9.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.0 m -87.14 -34.28 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.411 HD21 ' O ' ' A' ' 135' ' ' GLY . 3.6 tp -68.3 -62.82 1.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -50.55 -27.05 5.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.489 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 8.7 t -62.08 -47.09 86.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.93 -48.15 72.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.044 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.8 mt -52.87 -55.12 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.84 -35.01 77.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 85' ' ' SER . 18.6 m-20 -59.19 -54.34 48.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.431 ' CD2' ' HB2' ' A' ' 72' ' ' LEU . 1.8 mm? -70.07 -40.68 74.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 56.6 mmm -51.08 -48.01 61.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 58.0 p -73.97 -23.91 59.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.9 m -67.25 -53.82 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.0 m -120.74 -177.38 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t -99.92 169.24 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.463 ' HA ' ' CE2' ' A' ' 99' ' ' TRP . 27.0 tttt -64.06 -27.69 69.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -81.74 -45.41 15.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -44.8 -35.53 2.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.463 ' CE2' ' HA ' ' A' ' 96' ' ' LYS . 11.4 m0 -56.65 109.68 1.86 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.562 0.696 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.6 40.59 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -67.58 139.25 56.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 28.5 m -148.06 145.26 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -94.07 121.7 35.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 46.3 ttm -88.24 129.22 35.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -105.96 135.78 46.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -128.11 41.24 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.663 ' HB1' HG21 ' A' ' 58' ' ' THR . . . -87.75 152.21 22.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.3 t70 46.57 40.3 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.511 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 50.9 34.63 10.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.057 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.0 m -125.05 142.16 51.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.088 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 41.6 t -103.75 118.84 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 51.9 m -131.38 107.45 8.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.576 HG11 ' CE2' ' A' ' 68' ' ' TYR . 84.5 t -72.43 97.71 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.9 mm -90.49 141.96 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.678 ' OG ' HD11 ' A' ' 123' ' ' LEU . 2.0 m -70.89 170.03 13.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -93.42 -22.32 18.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -68.61 -36.3 78.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -147.04 166.06 27.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -95.78 -21.77 17.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -95.31 24.71 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.478 ' OE1' ' CB ' ' A' ' 115' ' ' SER . 15.4 tt0 -103.87 76.85 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 122' ' ' VAL . 0.8 OUTLIER -70.61 88.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.122 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.678 HD11 ' OG ' ' A' ' 115' ' ' SER . 33.5 mt -66.55 -61.54 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.484 HG21 ' OH ' ' A' ' 68' ' ' TYR . 79.4 t -127.9 126.45 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -110.86 97.31 6.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.436 ' C ' ' HD2' ' A' ' 127' ' ' ARG . 5.7 t -113.04 150.28 32.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.436 ' HD2' ' C ' ' A' ' 126' ' ' CYS . 1.4 mpt_? -121.26 154.18 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.453 HG23 ' HD2' ' A' ' 129' ' ' ARG . 11.7 m -66.26 -36.67 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.486 ' H ' ' CD ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -67.68 -22.81 65.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -94.66 -21.92 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 132' ' ' SER . 2.1 tt -56.57 152.56 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.601 ' N ' HD23 ' A' ' 131' ' ' LEU . 43.9 p -115.78 -51.67 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.563 ' HB2' HG12 ' A' ' 78' ' ' VAL . 11.6 t80 -143.46 155.94 44.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.413 ' HE2' HD22 ' A' ' 131' ' ' LEU . 3.0 ptp -157.61 113.0 2.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.411 ' O ' HD21 ' A' ' 83' ' ' LEU . . . -142.16 179.14 20.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 91.9 t -109.66 146.2 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.906 0.384 . . . . 0.0 111.123 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -78.76 -151.21 5.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -65.75 -36.86 84.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.327 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.47 156.13 19.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 165' ' ' ALA . 17.4 m -76.87 4.5 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 15.0 m80 -105.66 13.26 30.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.433 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 2.9 p -125.57 108.41 11.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -120.92 131.92 54.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -141.78 152.0 43.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 9.2 p90 -145.05 140.42 28.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 51.3 mt -100.73 130.34 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 10.8 ptm -119.54 150.35 40.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -96.89 113.44 24.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.618 HG21 ' OE2' ' A' ' 155' ' ' GLU . 39.9 p -86.32 -46.73 10.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.154 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 153.02 163.75 11.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 59.02 41.67 20.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 0.0 110.923 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 56.86 40.89 28.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -110.77 138.9 46.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -130.6 120.04 23.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.618 ' OE2' HG21 ' A' ' 149' ' ' THR . 34.3 mt-10 -105.61 124.64 49.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.8 t -100.44 112.96 25.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . 0.52 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 94.2 m-70 -103.1 131.2 50.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.546 HG11 HD22 ' A' ' 69' ' ' LEU . 52.6 t -108.99 147.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 30.0 m-85 -150.01 132.12 15.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.561 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 33.1 t-105 -86.93 122.98 31.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.36 154.66 25.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.542 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 49.7 mt-10 -153.48 153.76 29.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.599 0.714 . . . . 0.0 110.91 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.5 Cg_endo -69.8 -1.98 6.97 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.292 0.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.48 ' N ' ' OD1' ' A' ' 164' ' ' ASN . 4.2 p-10 -160.77 170.75 20.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -100.57 22.29 12.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.799 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -73.7 -52.04 14.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -61.22 -48.89 79.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.7 -62.39 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 49.7 m -49.64 -44.08 47.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -64.24 -42.95 96.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -64.05 -33.19 75.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 94.0 t -78.45 -35.26 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -71.54 -51.85 21.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -55.27 -41.57 72.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.511 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -50.61 -48.59 57.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 85.1 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.902 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -54.71 139.56 38.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.843 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -92.74 88.9 6.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.13 108.97 0.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 m -50.68 124.67 11.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.914 0.387 . . . . 0.0 110.847 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 p -117.34 -50.76 2.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 8' ' ' ASP . . . 178.64 -61.21 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' GLY . 23.3 p-10 -35.23 108.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.811 0.338 . . . . 0.0 110.824 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.35 86.82 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.63 126.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.148 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.461 HG13 ' CD ' ' A' ' 15' ' ' GLU . 88.6 t -89.77 153.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.415 ' N ' HG12 ' A' ' 11' ' ' VAL . 0.5 OUTLIER -101.62 143.53 26.79 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.593 0.711 . . . . 0.0 111.142 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 1.92 3.97 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -93.17 -27.94 16.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.461 ' CD ' HG13 ' A' ' 11' ' ' VAL . 6.4 pt-20 -85.01 -32.06 23.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.5 mmm-85 -43.65 -43.71 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -81.43 -59.69 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.455 HD13 ' HB ' ' A' ' 140' ' ' VAL . 20.1 mt -40.22 -40.41 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 22' ' ' GLN . 4.2 m -51.43 -71.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.3 -32.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.1 mmm -76.4 -35.46 58.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 19' ' ' SER . 45.2 mt-30 -77.07 -15.3 59.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -87.67 -62.57 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -107.31 -51.4 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.96 -161.21 14.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -132.15 111.96 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.926 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.551 ' OE1' HG11 ' A' ' 78' ' ' VAL . 27.1 mt-10 -98.9 108.73 21.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 14.8 t-20 -59.96 112.17 5.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.74 30.45 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.386 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.554 HG21 ' HD2' ' A' ' 129' ' ' ARG . 94.7 m -61.13 -42.38 98.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -60.56 -48.0 83.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.94 10.89 3.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -132.56 124.82 29.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 88.4 t80 64.5 52.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -114.94 -52.52 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' MET . 8.0 tt0 -100.11 -44.63 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' GLN . 4.5 ptp 34.58 47.46 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -97.78 156.03 16.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -113.28 -61.85 1.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.7 t 53.63 39.42 30.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -109.6 -46.6 0.9 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 t -159.96 122.64 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.868 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.7 p -170.93 168.65 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.01 -55.34 0.69 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.2 t -155.35 153.46 30.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 0.0 110.82 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.3 p -122.31 165.06 16.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.61 -146.1 7.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.457 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 t -172.26 152.8 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 t -167.55 167.33 13.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.76 140.83 8.19 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 72.5 p -147.3 171.35 15.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.1 p -141.38 161.34 38.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.817 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.82 178.41 17.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 128.04 15.45 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.6 p -39.02 151.11 0.21 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 95.41 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.38 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -91.68 144.13 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.2 t -173.7 171.78 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -116.72 -42.02 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.4 tp -84.4 134.65 34.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.49 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.3 p -155.17 145.17 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -106.58 126.51 52.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -117.08 116.76 27.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -111.71 140.59 46.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -93.63 93.03 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.1 m -119.16 -175.73 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -118.82 163.34 17.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.438 ' CD2' HG11 ' A' ' 113' ' ' VAL . 0.5 OUTLIER -109.57 128.77 55.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.673 HD22 ' CG1' ' A' ' 158' ' ' VAL . 5.5 mp -97.96 -52.49 3.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.59 166.76 10.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.521 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.49 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 10.1 tmm? -85.6 148.84 25.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.7 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -141.08 127.89 11.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.632 0.729 . . . . 0.0 110.864 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.7 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.82 124.87 11.48 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.31 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.3 m -104.88 177.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -97.89 -33.73 11.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -134.03 161.07 65.97 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.567 0.699 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -21.45 33.29 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.653 2.235 . . . . 0.0 112.374 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.714 HG12 ' HB2' ' A' ' 133' ' ' PHE . 33.2 m -137.56 170.21 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.19 113.77 2.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.3 mmt -55.83 -51.62 66.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -50.86 -32.64 20.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.6 m -74.91 -45.65 41.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.63 -53.34 59.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -49.19 -30.81 7.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.459 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 9.2 t -64.64 -43.03 94.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.6 -50.06 74.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.431 ' HA ' HG21 ' A' ' 158' ' ' VAL . 49.4 mt -54.34 -55.18 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.582 ' O ' HG23 ' A' ' 92' ' ' THR . 27.7 mt-10 -63.26 -35.07 79.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 85' ' ' SER . 20.7 m-20 -54.19 -62.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 93' ' ' SER . 3.2 mm? -63.26 -49.71 73.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 49.7 mmm -38.19 -52.23 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 88' ' ' GLU . 20.8 p -70.59 -30.57 67.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' LEU . 47.5 m -65.56 -53.01 48.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.7 m -121.09 152.17 38.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.4 p -75.89 164.52 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.504 ' HG3' ' CZ3' ' A' ' 99' ' ' TRP . 48.5 tttm -59.45 -29.43 67.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -85.1 -28.9 25.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -58.52 -38.71 78.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.504 ' CZ3' ' HG3' ' A' ' 96' ' ' LYS . 3.6 m0 -57.44 118.64 26.42 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.11 41.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.315 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.1 m -71.9 129.37 38.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.2 165.79 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -113.04 119.12 36.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.0 ttm -88.28 134.73 33.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -116.45 130.38 56.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.525 ' O ' HG12 ' A' ' 106' ' ' VAL . 10.9 t -114.05 35.07 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.49 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -78.21 151.59 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.4 t0 42.82 46.77 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.74 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 42.79 37.36 1.04 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.4 m -123.36 146.03 48.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.2 t -101.63 113.21 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.834 ' CG2' HG23 ' A' ' 122' ' ' VAL . 3.0 m -126.81 112.74 15.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.438 HG11 ' CD2' ' A' ' 68' ' ' TYR . 85.1 t -83.12 84.85 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' A' ' 122' ' ' VAL . 20.4 mm -73.06 153.59 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.2 t -87.38 153.75 21.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.63 -43.77 58.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -68.21 -42.83 79.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -120.27 141.82 49.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -96.39 -24.46 16.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -103.09 39.79 1.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 122' ' ' VAL . 6.4 tp10 -104.29 -27.43 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.834 HG23 ' CG2' ' A' ' 112' ' ' THR . 7.2 p 34.63 54.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 122' ' ' VAL . 7.4 mt -36.02 -57.19 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 74.3 t -124.77 145.22 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.41 ' OE1' HG21 ' A' ' 122' ' ' VAL . 20.4 tt0 -138.81 105.41 5.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.6 t -130.52 138.7 50.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -91.18 163.53 14.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.74 HG13 ' O ' ' A' ' 109' ' ' ALA . 19.7 m -71.75 -36.03 57.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.554 ' HD2' HG21 ' A' ' 30' ' ' THR . 10.8 mmm180 -65.23 -36.39 84.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -73.82 -29.49 62.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.444 HD21 ' HB3' ' A' ' 134' ' ' MET . 2.2 tt -52.27 133.85 34.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 89.5 p -94.46 -56.6 2.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.714 ' HB2' HG12 ' A' ' 78' ' ' VAL . 49.3 t80 -145.46 148.26 33.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.444 ' HB3' HD21 ' A' ' 131' ' ' LEU . 4.7 ptp -148.0 124.24 10.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -152.33 -178.45 27.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.0 t -114.17 138.2 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 111.155 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -74.5 -163.19 9.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -53.0 -44.81 67.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -85.81 156.74 20.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.455 ' HB ' HD13 ' A' ' 18' ' ' LEU . 27.3 m -84.41 -10.55 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.414 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 7.6 m80 -101.3 18.11 20.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.421 ' HB ' HG21 ' A' ' 87' ' ' ILE . 19.9 p -124.09 106.23 10.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -123.07 131.07 53.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -136.95 149.63 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -136.59 142.11 43.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 20.5 mt -103.94 134.17 45.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.5 ptm -132.35 164.4 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -96.47 132.6 41.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.414 HG21 ' HG2' ' A' ' 155' ' ' GLU . 80.9 p -116.58 -38.13 3.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.106 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -122.59 -141.12 5.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.49 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -69.29 -63.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.512 ' O ' ' CZ ' ' A' ' 154' ' ' PHE . 16.8 mt-30 -128.25 14.6 6.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -76.29 145.24 39.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.512 ' CZ ' ' O ' ' A' ' 152' ' ' GLN . 3.0 m-85 -132.97 123.09 25.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.516 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 0.2 OUTLIER -108.84 120.19 41.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.3 t -100.54 111.36 23.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -102.64 126.92 49.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.673 ' CG1' HD22 ' A' ' 69' ' ' LEU . 41.5 t -101.01 148.13 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.182 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -146.78 137.02 23.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.414 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 57.1 t-105 -87.46 117.41 26.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.545 ' SG ' HG21 ' A' ' 168' ' ' VAL . 68.8 m -109.38 139.8 43.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.538 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -142.01 153.77 64.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 0.0 110.892 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.5 Cg_endo -69.85 -0.51 6.31 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.328 0.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.483 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 48.5 p-10 -174.03 155.16 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 169' ' ' SER . . . -66.62 -24.87 66.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.43 ' HB3' ' ND2' ' A' ' 164' ' ' ASN . . . -39.05 -36.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -73.82 -46.84 42.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.545 HG21 ' SG ' ' A' ' 161' ' ' CYS . 89.8 t -76.79 -61.68 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 165' ' ' ALA . 44.2 p -40.94 -38.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -72.21 -54.21 10.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.19 -43.6 42.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 67.3 t -69.56 -39.52 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -61.15 -45.14 95.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -58.76 -40.6 84.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.075 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.35 53.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 19.9 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 t -100.97 154.23 18.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.886 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -108.12 -62.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.66 89.66 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 p -51.44 164.8 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.913 0.387 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -99.61 -179.8 4.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.96 144.53 10.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -97.31 132.17 43.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.34 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.53 178.78 9.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.15 52.06 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.459 HG23 ' CD ' ' A' ' 15' ' ' GLU . 7.5 p -142.28 143.79 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -90.56 141.71 27.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.558 0.694 . . . . 0.0 111.16 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 2.62 3.35 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.312 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.85 -16.59 20.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 16' ' ' ARG . 2.7 pt-20 -95.81 -28.72 14.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 30.6 mtm180 -64.52 -38.88 92.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -82.65 -27.15 31.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.7 mt -69.54 -23.65 63.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -62.97 -63.21 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -46.55 -37.58 8.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.3 mmt -58.15 -44.61 87.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -77.58 -39.64 44.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -51.58 -67.71 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -124.49 -31.47 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.57 -138.41 13.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -155.56 117.07 3.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.532 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 15.6 mp0 -106.13 117.6 34.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -57.56 119.42 32.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.633 0.73 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.533 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 53.8 Cg_endo -69.76 -23.58 30.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.5 m -71.14 -21.22 62.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -83.1 -19.67 36.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -109.79 25.86 11.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.94 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 29' ' ' PRO . 3.9 m-30 -106.79 145.8 31.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 35' ' ' GLU . 34.4 t80 -131.13 -37.18 1.28 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 34' ' ' PHE . 36.2 mt-10 -35.67 -62.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -101.93 -39.24 7.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.452 ' C ' ' O ' ' A' ' 36' ' ' GLN . 8.3 ttp 34.54 34.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 36' ' ' GLN . 32.5 tp60 -102.61 143.75 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -117.14 172.33 7.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.45 161.16 19.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' SER . . . 140.1 -61.06 0.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 41' ' ' GLY . 54.9 p -34.53 112.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.5 t -111.89 98.84 7.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.28 -164.73 52.13 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.0 p -143.93 170.67 15.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.844 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.7 p -49.53 162.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.24 86.57 1.78 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.534 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t -164.11 147.75 9.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.8 t -96.71 -48.28 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 51' ' ' SER . . . -97.63 65.62 0.86 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 50' ' ' GLY . 15.7 m -35.91 134.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.935 0.397 . . . . 0.0 110.841 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -141.02 175.3 9.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.28 80.62 0.33 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 99.83 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.719 2.279 . . . . 0.0 112.366 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.8 p -81.18 144.45 54.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.55 0.691 . . . . 0.0 111.165 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 114.55 3.73 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.634 2.223 . . . . 0.0 112.371 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -38.46 111.81 0.19 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 48.8 m -123.4 122.63 38.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -128.41 -46.24 1.33 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.0 tp -94.22 117.8 30.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.8 p -145.47 142.29 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -115.08 132.25 56.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -119.45 125.42 48.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -118.38 137.27 53.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.1 ttp180 -89.6 99.02 12.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.8 m -123.8 -179.21 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -118.29 157.61 26.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -101.26 130.61 47.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.546 HD13 HG12 ' A' ' 158' ' ' VAL . 2.8 mp -99.49 -41.45 7.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.54 156.05 8.5 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.44 ' HG2' ' N ' ' A' ' 72' ' ' LEU . 20.9 ttp -77.3 148.48 35.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.568 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -139.02 126.52 13.22 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.644 0.735 . . . . 0.0 110.924 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.568 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.5 Cg_endo -69.77 125.43 12.13 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.25 . . . . 0.0 112.325 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.0 m -115.18 171.67 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -104.68 -25.95 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.5 mtt85 -127.09 143.13 45.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.453 ' HA ' HG21 ' A' ' 146' ' ' ILE . 53.6 Cg_endo -69.77 -21.63 33.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.872 HG12 ' HB2' ' A' ' 133' ' ' PHE . 15.0 m -137.69 171.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.24 119.44 3.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.575 ' CE ' HD22 ' A' ' 83' ' ' LEU . 5.7 mmt -51.89 -54.65 26.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.734 0.302 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -45.1 -35.01 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.9 m -76.95 -32.88 57.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.575 HD22 ' CE ' ' A' ' 80' ' ' MET . 2.5 tp -68.32 -61.91 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -53.34 -18.96 2.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.472 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 17.9 t -69.53 -45.71 68.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.48 -51.61 54.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.415 HG21 ' HB ' ' A' ' 142' ' ' THR . 56.8 mt -51.92 -51.61 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -65.04 -35.4 81.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.8 m-20 -60.17 -55.11 37.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 90' ' ' LEU . 2.5 mm? -69.32 -40.18 77.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 29.6 mtp -52.59 -45.02 66.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 89' ' ' ASN . 2.2 t -80.48 -18.52 48.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.0 t -75.82 -47.22 26.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 m -123.67 179.71 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.464 ' O ' ' CD1' ' A' ' 99' ' ' TRP . 1.5 p -102.04 164.36 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.54 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 41.7 tttm -61.49 -32.22 72.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -82.17 -39.27 23.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -56.27 -17.96 9.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.54 ' CE3' ' HA ' ' A' ' 96' ' ' LYS . 30.1 m0 -74.48 116.59 54.66 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.518 0.675 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 143.7 51.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.384 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.5 m -76.67 137.12 39.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.1 m -142.99 150.34 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -97.12 118.67 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 59.9 ttm -89.37 132.22 35.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -109.09 141.8 40.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.715 ' O ' HG12 ' A' ' 106' ' ' VAL . 48.4 t -128.64 41.39 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.02 152.22 22.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t70 47.04 42.38 12.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.689 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 49.31 31.48 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.2 m -121.99 140.43 52.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 126' ' ' CYS . 93.3 t -101.9 112.34 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 36.9 m -124.27 116.1 22.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.144 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.639 HG21 ' CE2' ' A' ' 159' ' ' PHE . 96.1 t -81.55 98.26 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.1 mm -87.45 146.1 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.4 t -79.75 122.07 26.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -48.37 -21.32 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.9 mttm -59.71 -46.43 89.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -140.1 -176.52 4.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -109.45 -15.08 14.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -106.94 20.09 19.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -105.49 80.16 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 122' ' ' VAL . 0.8 OUTLIER -75.39 101.35 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mt -76.23 -59.39 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 43.1 t -126.01 121.17 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -105.59 95.04 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 111' ' ' VAL . 34.3 t -111.86 141.76 45.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -115.65 174.26 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 109' ' ' ALA . 29.6 m -83.53 -48.11 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.549 ' N ' HG23 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -57.63 -18.35 19.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -100.58 -25.11 14.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.803 HD23 ' N ' ' A' ' 132' ' ' SER . 3.7 tt -56.8 140.43 47.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.803 ' N ' HD23 ' A' ' 131' ' ' LEU . 14.8 m -102.58 -59.79 1.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.872 ' HB2' HG12 ' A' ' 78' ' ' VAL . 14.9 t80 -134.36 159.03 42.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.461 ' HE1' HD13 ' A' ' 131' ' ' LEU . 2.4 ptt? -161.67 124.74 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -154.57 -176.11 26.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.537 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 71.5 t -114.78 135.79 53.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.18 -163.64 0.45 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -59.97 -35.48 75.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -98.05 168.68 10.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 165' ' ' ALA . 35.4 m -90.77 0.74 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.484 ' HB3' ' CE2' ' A' ' 160' ' ' TRP . 21.5 m80 -107.63 13.72 26.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.415 ' HB ' HG21 ' A' ' 87' ' ' ILE . 31.8 p -125.43 113.72 17.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.415 ' CD1' ' OG ' ' A' ' 169' ' ' SER . 35.8 t80 -131.97 133.99 45.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.503 ' HB2' HG22 ' A' ' 158' ' ' VAL . . . -142.35 162.56 35.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.07 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -152.02 145.84 25.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.453 HG21 ' HA ' ' A' ' 77' ' ' PRO . 3.0 mp -102.72 140.77 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 17.1 ptm -129.94 147.3 51.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -93.79 103.17 15.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 70.0 p -88.71 25.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 75.83 163.24 13.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 62.64 42.7 8.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.826 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 45.86 33.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -103.53 131.37 50.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -123.33 122.28 37.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.527 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 2.4 mp0 -106.35 123.79 48.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.0 t -96.44 107.63 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -104.48 129.14 52.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.546 HG12 HD13 ' A' ' 69' ' ' LEU . 45.8 t -111.5 146.59 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 0.639 ' CE2' HG21 ' A' ' 113' ' ' VAL . 28.1 m-85 -146.13 131.47 18.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.484 ' CE2' ' HB3' ' A' ' 141' ' ' HIS . 36.7 t-105 -83.27 129.85 35.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.482 ' SG ' HG21 ' A' ' 168' ' ' VAL . 22.0 m -121.83 147.91 45.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 1.1 pp20? -146.08 156.62 50.8 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.647 0.737 . . . . 0.0 110.872 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.9 Cg_endo -69.71 -1.33 6.51 Favored 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.316 -0.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.486 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 13.8 p-10 -160.28 173.76 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -102.16 29.52 5.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -81.48 -46.49 14.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -63.4 -59.71 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.482 HG21 ' SG ' ' A' ' 161' ' ' CYS . 54.6 t -48.61 -72.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . 0.415 ' OG ' ' CD1' ' A' ' 143' ' ' PHE . 3.5 m -40.11 -51.55 2.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -49.79 -54.87 16.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -54.04 -42.42 69.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.48 -36.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -65.26 -61.14 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -54.45 -41.38 69.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.067 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -47.08 -41.17 16.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -147.77 171.07 16.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.928 0.394 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -174.38 135.61 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.57 -157.5 11.46 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -139.18 149.19 44.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.892 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -99.01 132.7 44.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.7 45.63 1.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -133.13 130.98 39.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.819 0.342 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.12 80.33 8.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.69 107.51 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.8 t -88.56 138.43 19.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -101.37 156.35 35.27 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.569 0.699 . . . . 0.0 111.148 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -17.59 37.55 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.656 2.237 . . . . 0.0 112.38 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.59 -20.18 40.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -85.79 -35.81 20.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -41.64 -31.1 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -93.53 -52.45 4.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.434 ' CD2' HG21 ' A' ' 136' ' ' VAL . 17.1 mt -47.61 -37.01 11.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.1 p -56.52 -72.19 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -44.33 -25.82 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.3 mtt -78.32 -43.69 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -71.59 -35.75 70.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -63.39 -67.1 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -109.69 -54.85 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.67 -153.08 16.73 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.524 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.464 ' CD1' ' NE2' ' A' ' 173' ' ' GLN . 29.2 t80 -141.82 110.89 6.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -102.23 125.45 48.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 29.1 t-20 -66.36 119.76 64.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m -49.01 -38.94 24.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -64.59 -71.36 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.63 -27.75 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -87.83 149.1 24.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -108.73 -46.54 3.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -47.04 -34.11 5.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -75.58 74.09 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 10.6 mmt -136.17 174.82 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -58.06 150.68 20.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -123.99 135.16 53.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 t -85.39 -57.16 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.12 -90.1 0.27 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.463 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.0 m -76.85 149.89 36.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.845 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -130.82 104.62 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.94 92.41 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 t 67.43 41.49 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.382 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.1 p -99.48 156.73 16.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.18 159.96 14.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.6 m -79.39 -46.96 16.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.831 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.9 m -56.73 166.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.56 -120.44 1.0 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.1 m -144.0 155.99 44.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.882 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.1 p -97.35 -50.72 4.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.35 156.09 12.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 162.2 42.99 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.0 p -109.02 152.55 42.52 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.546 0.688 . . . . 0.0 111.138 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -179.55 2.99 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 pttt -81.9 161.99 22.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.639 ' CG2' ' HB1' ' A' ' 107' ' ' ALA . 4.5 m -121.99 45.64 2.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 60' ' ' LEU . 6.6 pt-20 -55.41 -34.76 64.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.454 HD23 ' C ' ' A' ' 60' ' ' LEU . 10.0 tt -93.54 130.22 39.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.642 HG23 ' HB2' ' A' ' 107' ' ' ALA . 5.5 p -164.86 140.97 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -123.79 132.42 53.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -116.47 125.12 51.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -116.79 156.45 27.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -106.43 100.77 10.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' A' ' 161' ' ' CYS . 6.6 m -124.47 175.84 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -112.07 153.92 26.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -99.32 129.28 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.514 HD13 HG12 ' A' ' 158' ' ' VAL . 3.2 mp -99.6 -39.61 8.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.57 166.42 12.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.531 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.465 ' HB2' ' CE1' ' A' ' 157' ' ' HIS . 23.3 ttp -83.07 151.33 25.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.629 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -143.53 124.78 8.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 110.965 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.629 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.7 Cg_endo -69.73 127.91 15.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.338 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.5 m -113.66 165.68 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.87 -26.72 16.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -133.41 146.46 60.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -24.28 30.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.238 . . . . 0.0 112.378 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.1 m -128.14 173.38 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.23 117.48 3.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.8 mmt -53.07 -54.67 32.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -47.91 -42.73 27.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.5 m -60.26 -37.93 81.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 tp -70.36 -61.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -42.5 -33.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.481 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 7.0 t -60.88 -43.14 98.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.31 -53.64 45.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 48.0 mt -50.45 -55.88 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.11 -37.3 82.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 85' ' ' SER . 20.5 m-20 -56.34 -61.97 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.55 ' CD2' HD23 ' A' ' 72' ' ' LEU . 4.4 mm? -61.89 -39.92 93.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 44.7 mmm -51.72 -42.29 62.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 71.4 p -79.7 -40.74 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.4 t -57.83 -53.61 56.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 m -109.23 -175.67 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 71.6 m -116.7 159.71 21.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.577 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 13.6 tttp -46.86 -47.13 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -69.53 -44.34 71.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -42.98 -40.47 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.577 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 4.7 m0 -59.94 111.0 3.27 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.542 0.687 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 99' ' ' TRP . 53.8 Cg_endo -69.74 143.91 52.44 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.643 2.229 . . . . 0.0 112.355 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.7 m -69.52 138.5 53.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.3 m -147.18 154.47 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -107.39 121.16 44.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 23.2 ttm -92.53 129.97 38.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 -100.09 131.49 46.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.547 ' O ' HG12 ' A' ' 106' ' ' VAL . 26.3 t -118.87 50.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.642 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -101.75 148.34 25.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.069 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 t70 43.73 50.38 6.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.694 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 41.61 34.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.455 HG23 ' HD2' ' A' ' 127' ' ' ARG . 96.5 m -119.52 135.17 54.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 94.4 t -101.98 112.81 36.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.698 HG23 HG13 ' A' ' 122' ' ' VAL . 57.5 m -127.46 107.61 10.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 82.6 t -69.85 94.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 21.8 mm -81.48 147.44 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -78.93 140.26 38.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.06 -45.57 70.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.427 ' C ' ' OD1' ' A' ' 118' ' ' ASN . 13.6 pttm -62.14 -35.93 80.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 117' ' ' LYS . 5.4 m-20 -135.07 120.79 19.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -68.48 -42.46 78.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -81.65 41.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -133.21 84.9 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.698 HG13 HG23 ' A' ' 112' ' ' THR . 55.1 t -71.64 103.23 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.5 mt -72.49 -50.71 24.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 91.1 t -133.47 131.82 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -117.77 108.72 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 18.8 t -127.63 153.56 46.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.455 ' HD2' HG23 ' A' ' 110' ' ' THR . 21.7 mmm-85 -123.08 134.66 54.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 109' ' ' ALA . 3.4 m -45.77 -24.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -64.85 -45.37 86.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.423 ' CD2' ' HB2' ' A' ' 127' ' ' ARG . 62.3 m-85 -75.27 -33.44 61.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.579 HD21 ' HB3' ' A' ' 134' ' ' MET . 2.4 tt -43.67 131.0 5.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.459 ' N ' HD23 ' A' ' 131' ' ' LEU . 27.5 p -102.73 -55.23 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -138.39 141.85 39.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.579 ' HB3' HD21 ' A' ' 131' ' ' LEU . 5.0 ptp -146.69 122.41 10.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -156.39 -177.2 29.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.535 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.434 HG21 ' CD2' ' A' ' 18' ' ' LEU . 97.6 t -112.05 137.7 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -75.93 -164.67 16.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -51.1 -45.4 61.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -84.95 152.8 23.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.831 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.9 m -79.58 -12.33 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 8.5 m80 -102.21 19.59 18.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.802 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.0 p -118.74 105.08 11.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.197 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -118.49 129.95 55.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -138.75 142.78 38.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 19.8 p90 -140.75 130.68 24.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 21.4 mt -96.88 124.67 49.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 9.2 ptm -114.03 163.0 15.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -99.45 120.29 39.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 64.6 p -101.81 -44.29 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -121.88 -142.91 6.42 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -71.52 -67.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.741 0.305 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -118.13 24.8 10.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -91.95 131.05 37.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -128.54 120.68 27.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -107.32 122.36 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.0 t -102.52 110.02 21.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . 0.465 ' CE1' ' HB2' ' A' ' 71' ' ' MET . 88.8 m-70 -104.88 132.42 51.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.514 HG12 HD13 ' A' ' 69' ' ' LEU . 38.7 t -106.98 144.89 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -144.16 131.0 20.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 27.5 t-105 -83.82 108.97 17.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.438 ' SG ' HG21 ' A' ' 168' ' ' VAL . 96.1 m -91.85 149.37 21.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.548 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 9.2 mm-40 -145.28 148.34 37.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.731 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.82 -0.49 6.26 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.313 0.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.448 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 31.2 p-10 -169.93 169.49 8.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -74.28 -29.85 61.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 170' ' ' GLU . . . -41.36 -37.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -69.35 -57.53 5.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.438 HG21 ' SG ' ' A' ' 161' ' ' CYS . 72.9 t -69.34 -62.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 87.5 p -41.7 -44.3 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 166' ' ' ALA . 7.8 tt0 -59.93 -58.92 6.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.435 ' HB1' HG11 ' A' ' 106' ' ' VAL . . . -49.08 -40.4 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.34 -64.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . 0.464 ' NE2' ' CD1' ' A' ' 26' ' ' TYR . 39.6 tt0 -45.79 -48.76 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -55.28 -45.07 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.694 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -48.25 -44.19 33.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 72.2 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.882 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 56.69 41.93 27.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 110.879 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -59.42 -58.07 10.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.38 -174.69 20.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.531 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 p -108.2 163.93 12.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -119.53 149.14 42.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.07 44.75 93.79 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -83.76 150.77 25.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.349 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.23 43.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.16 118.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.7 t -85.13 136.33 23.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.404 ' H ' HG23 ' A' ' 12' ' ' THR . 1.0 OUTLIER -66.13 147.62 98.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.688 . . . . 0.0 111.156 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -10.88 29.65 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.722 2.282 . . . . 0.0 112.321 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -92.25 -31.47 15.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.03 -40.94 97.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -55.7 -35.08 65.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -79.91 -40.15 28.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.427 HD13 ' CG1' ' A' ' 140' ' ' VAL . 60.6 mt -64.07 -42.77 96.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.4 p -51.24 -61.62 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -53.92 -28.12 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.1 mtp -76.71 -36.5 57.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -78.74 -32.05 46.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -78.65 -60.89 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -97.5 -68.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.17 -151.03 17.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 173' ' ' GLN . 24.5 t80 -153.86 105.93 2.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.351 . . . . 0.0 110.924 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -98.33 127.37 44.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 38.6 t-20 -73.2 112.34 15.3 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.73 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 28' ' ' ASN . 53.9 Cg_endo -69.74 -37.55 9.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 31' ' ' TYR . 28.8 m -54.79 -48.34 72.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 31' ' ' TYR . 1.7 t80 -37.59 -35.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.495 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 9.9 tptp -87.88 -47.78 8.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.495 ' CD1' ' HG3' ' A' ' 32' ' ' LYS . 23.2 m-85 -115.58 117.38 30.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -105.08 -36.88 7.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 1.6 mp0 -55.62 -76.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -58.07 91.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.5 mtp -98.42 156.05 16.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -69.27 -52.34 28.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -56.88 112.95 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 t -51.6 169.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.75 134.04 7.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.5 m -102.24 106.58 17.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.38 . . . . 0.0 110.863 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 m -77.65 -55.89 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.9 159.25 7.85 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.1 t -85.13 -51.83 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.84 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 p -164.99 115.18 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.23 -139.96 9.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 84.0 p -76.5 -45.53 30.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 82.8 p -162.82 139.63 7.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.86 110.01 2.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.0 m -72.76 105.37 4.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.4 m -55.49 109.93 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.74 89.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' THR . 53.9 Cg_endo -69.77 -176.99 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' PRO . 82.6 p -37.07 141.33 0.41 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.588 0.708 . . . . 0.0 111.132 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 106.33 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.36 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -122.9 107.25 11.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.407 HG21 ' HB1' ' A' ' 107' ' ' ALA . 53.9 m -147.49 144.26 28.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -124.18 -51.7 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 tp -91.2 136.05 33.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 p -152.74 139.67 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.079 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -114.81 123.3 48.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -105.62 127.02 52.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -118.05 146.44 44.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -96.24 111.97 23.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.805 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.427 ' CG1' ' SG ' ' A' ' 161' ' ' CYS . 12.3 m -142.69 178.37 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -116.68 155.96 27.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.427 ' CE2' HG11 ' A' ' 113' ' ' VAL . 0.5 OUTLIER -101.37 128.9 47.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.808 HD22 HG11 ' A' ' 158' ' ' VAL . 3.2 mp -98.86 -46.65 5.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.51 167.51 11.19 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.485 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 10.9 tmm? -88.79 140.82 29.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.756 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -134.63 126.73 18.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 110.922 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.756 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.2 Cg_endo -69.83 122.63 9.29 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.331 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.0 m -104.58 165.17 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.12 -27.85 19.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -132.09 150.07 75.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.584 0.706 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.44 ' HD3' ' CE2' ' A' ' 154' ' ' PHE . 53.8 Cg_endo -69.72 -26.96 27.24 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.748 2.299 . . . . 0.0 112.36 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.623 HG12 ' HB2' ' A' ' 133' ' ' PHE . 15.0 m -132.11 168.42 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.84 133.42 4.57 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 mmt -66.93 -59.79 3.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -43.87 -46.62 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -57.88 -40.02 79.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.4 tp -64.96 -54.43 30.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -45.96 -30.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.496 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 12.3 t -63.54 -45.76 89.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.7 -56.86 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.112 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 32.6 mt -47.72 -56.97 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.65 -41.21 94.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.5 m-20 -50.47 -59.57 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.467 ' CD2' HD23 ' A' ' 72' ' ' LEU . 4.4 mm? -66.87 -43.11 84.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 45.0 mtp -51.39 -26.21 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.4 p -93.96 -43.98 8.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.2 m -56.96 -50.07 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.4 m -113.44 -178.58 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.402 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 10.8 m -105.39 166.84 10.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.575 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 38.9 tttm -63.59 -39.67 94.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.15 -40.72 37.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -47.77 -32.03 5.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.575 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 15.6 m0 -59.34 115.59 12.93 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.553 0.692 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 140.12 41.74 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.318 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.9 m -69.25 141.03 54.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 27.4 m -151.32 146.51 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -96.82 122.76 40.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.447 ' SD ' HG22 ' A' ' 113' ' ' VAL . 17.1 tpp -89.2 135.61 33.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -107.53 140.23 40.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.437 ' O ' HG12 ' A' ' 106' ' ' VAL . 11.0 t -130.81 46.04 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.407 ' HB1' HG21 ' A' ' 58' ' ' THR . . . -92.54 151.79 19.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.9 t70 42.77 48.27 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.444 ' O ' HG22 ' A' ' 128' ' ' VAL . . . 45.24 36.73 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.8 m -123.3 140.66 52.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.4 t -104.79 117.84 51.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 34.8 m -131.42 121.73 25.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.447 HG22 ' SD ' ' A' ' 104' ' ' MET . 69.6 t -84.47 98.54 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.2 mm -92.2 146.61 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.4 t -75.11 158.65 32.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.02 -32.45 30.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -63.17 -49.33 74.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -123.04 173.14 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -110.63 -19.0 13.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -100.11 29.45 4.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -110.96 78.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 122' ' ' VAL . 0.8 OUTLIER -73.62 85.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.91 -50.87 69.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.403 HG21 ' OH ' ' A' ' 68' ' ' TYR . 96.4 t -133.25 134.53 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -128.11 100.87 6.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.528 ' HG ' ' CB ' ' A' ' 147' ' ' MET . 2.4 t -121.58 144.95 48.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -110.36 139.78 45.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.485 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.7 m -46.5 -26.95 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -62.52 -45.77 91.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -75.53 -27.98 58.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.604 HD21 ' HB3' ' A' ' 134' ' ' MET . 2.2 tt -48.33 124.97 8.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.0 m -94.92 -64.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.623 ' HB2' HG12 ' A' ' 78' ' ' VAL . 25.6 t80 -132.29 148.45 52.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.604 ' HB3' HD21 ' A' ' 131' ' ' LEU . 6.5 ptp -148.66 123.34 9.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -157.63 174.97 35.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.7 t -107.22 144.64 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 111.19 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.18 -160.84 22.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -54.61 -43.67 72.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.331 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -90.59 166.08 13.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.427 ' CG1' HD13 ' A' ' 18' ' ' LEU . 33.0 m -91.05 -12.62 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.165 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.54 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 2.5 m80 -96.09 19.16 12.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 13.7 p -125.09 105.19 8.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -123.77 128.29 49.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -139.05 152.72 47.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 23.4 p90 -144.35 134.53 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 66.8 mt -95.33 128.66 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.528 ' CB ' ' HG ' ' A' ' 126' ' ' CYS . 9.3 ptm -113.81 165.75 12.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.46 122.29 45.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 75.4 p -100.68 -42.24 6.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.48 -129.65 3.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -89.63 -66.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.311 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -109.66 24.89 12.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -103.33 131.95 49.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.44 ' CE2' ' HD3' ' A' ' 77' ' ' PRO . 3.1 m-85 -133.12 122.49 24.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -107.5 122.73 47.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.7 t -105.98 112.85 26.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 159' ' ' PHE . 95.4 m-70 -102.78 123.35 46.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.808 HG11 HD22 ' A' ' 69' ' ' LEU . 96.8 t -96.21 144.17 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 157' ' ' HIS . 54.7 m-85 -144.47 139.06 28.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.54 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 20.2 t-105 -99.17 127.68 45.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.591 ' SG ' HG21 ' A' ' 168' ' ' VAL . 71.0 m -115.92 151.87 34.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.558 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 52.3 mt-10 -139.82 148.01 53.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.888 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.7 Cg_endo -69.82 0.6 5.77 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.316 0.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.456 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 1.1 p-10 -175.08 178.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -100.8 40.45 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.419 ' CB ' HD22 ' A' ' 164' ' ' ASN . . . -83.71 -39.32 20.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -79.91 -42.0 25.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.591 HG21 ' SG ' ' A' ' 161' ' ' CYS . 72.3 t -63.61 -67.58 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 33.0 p -45.01 -38.96 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -68.92 -47.91 64.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -54.89 -41.29 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 175' ' ' ALA . 57.6 t -68.25 -49.27 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . 0.575 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 25.8 tt0 -46.81 -49.52 19.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.02 76.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 172' ' ' VAL . . . -52.37 -47.87 65.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . 0.434 ' SG ' ' CE1' ' A' ' 26' ' ' TYR . 13.8 p . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 p 44.56 49.81 8.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.846 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -150.76 149.62 29.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.82 112.94 0.29 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -86.93 137.57 32.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.846 0.355 . . . . 0.0 110.887 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -59.54 -57.71 11.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.62 80.79 0.32 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -146.41 142.0 27.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.88 38.99 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.24 99.53 5.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 81.1 t -95.76 143.19 12.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -79.77 153.41 75.51 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.565 0.698 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -24.35 29.92 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.688 2.259 . . . . 0.0 112.371 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -76.07 -30.7 58.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.62 ' OE2' HG11 ' A' ' 140' ' ' VAL . 60.8 mm-40 -77.21 -35.46 55.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -42.22 -32.62 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -89.84 -52.18 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 166' ' ' ALA . 17.6 mt -53.12 -55.49 23.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 18' ' ' LEU . 2.3 p -34.12 -48.23 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.839 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -55.03 -54.77 38.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 47.8 mmm -52.73 -38.23 60.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -73.42 -20.88 60.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -84.38 -59.12 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -114.84 -55.13 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.54 -140.23 14.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -158.53 119.96 3.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.878 0.37 . . . . 0.0 110.904 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -100.68 109.82 21.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -58.45 120.68 46.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.669 0.747 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -23.68 30.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.0 p -64.55 -52.61 56.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -42.74 -45.94 4.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -76.7 -54.28 6.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -60.41 130.32 46.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -115.75 -57.74 2.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -42.97 -55.77 3.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 -89.12 91.09 8.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.6 ptp -114.67 174.31 6.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -64.28 -29.47 70.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -69.49 154.24 42.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -96.77 123.26 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 179.61 91.4 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.7 m -122.89 39.97 3.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 110.89 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -147.13 149.31 32.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 119.8 -64.81 0.44 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.1 p 41.41 41.56 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.4 t -93.59 -54.06 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.46 -84.13 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m -102.44 83.93 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.359 . . . . 0.0 110.87 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.2 m -104.97 176.77 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -179.74 141.58 4.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.5 t -153.82 168.15 27.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.835 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.4 p -163.28 158.21 21.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -164.3 146.02 10.97 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.526 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 95.96 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.698 2.265 . . . . 0.0 112.339 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.9 p -66.47 143.48 98.23 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.582 0.705 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 125.82 12.57 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -68.46 175.27 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.3 p -124.11 123.03 39.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -47.46 -34.35 7.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.9 tp -75.67 142.65 42.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.781 HG23 ' HB2' ' A' ' 107' ' ' ALA . 3.4 p -161.95 138.47 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -102.8 138.18 40.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -127.01 113.32 16.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -108.58 135.88 49.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -86.86 107.91 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.2 m -131.58 163.49 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -103.61 147.92 26.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.39 129.64 39.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mp -100.72 -47.94 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.964 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.59 162.5 9.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.489 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 11.1 tmm? -81.21 149.3 29.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.555 HD22 ' HD2' ' A' ' 73' ' ' PRO . 0.5 OUTLIER -140.17 123.62 10.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.555 ' HD2' HD22 ' A' ' 72' ' ' LEU . 53.5 Cg_endo -69.82 119.95 6.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.443 ' CG1' HG22 ' A' ' 82' ' ' THR . 2.4 m -102.78 -180.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -103.32 -31.11 10.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -128.8 149.0 70.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.563 0.697 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.67 34.44 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.731 HG12 ' HB2' ' A' ' 133' ' ' PHE . 27.2 m -139.72 156.43 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 127.76 122.09 2.48 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.6 mmt -57.45 -60.51 3.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -38.76 -37.18 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.443 HG22 ' CG1' ' A' ' 74' ' ' VAL . 10.8 m -73.38 -45.15 56.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 tp -60.33 -55.02 38.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -49.95 -26.36 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.486 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 8.1 t -70.16 -43.47 70.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.91 -45.35 94.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.1 mt -58.61 -53.6 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.67 -29.57 70.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 85' ' ' SER . 24.2 m-20 -63.67 -51.24 66.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 90' ' ' LEU . 2.8 mm? -71.7 -46.95 57.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 59.6 mtp -43.61 -50.02 7.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 t -77.11 -19.6 56.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t -71.5 -50.32 32.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.3 m -123.09 -179.49 4.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.1 m -96.41 158.27 15.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.3 tttm -60.34 -23.37 64.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.4 pt-20 -86.64 -41.45 14.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 19.6 m-20 -47.28 -38.23 12.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.408 ' HA ' ' HD2' ' A' ' 100' ' ' PRO . 9.5 m0 -55.02 110.32 2.12 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.572 0.701 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 99' ' ' TRP . 53.4 Cg_endo -69.77 138.23 37.32 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.677 2.252 . . . . 0.0 112.346 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.417 ' HB3' ' CD ' ' A' ' 116' ' ' GLU . 42.3 m -67.87 135.36 52.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.5 m -144.02 148.71 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -96.74 120.88 37.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 46.3 ttm -90.39 131.31 36.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -103.64 136.82 42.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 106' ' ' VAL . 15.2 t -131.45 51.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.781 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -104.35 151.53 23.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.8 t70 49.28 35.82 8.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.553 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 56.09 29.89 15.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.6 m -117.7 133.77 55.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.185 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.0 t -102.09 112.64 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.833 ' CG2' HG23 ' A' ' 122' ' ' VAL . 17.6 m -129.28 114.11 15.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.5 t -78.02 95.27 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 9.9 mm -84.16 147.91 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -79.88 159.86 26.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' CD ' ' HB3' ' A' ' 101' ' ' SER . 7.8 mt-10 -78.5 -51.88 9.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -65.7 -34.17 77.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -124.27 136.44 54.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -93.61 -34.13 13.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -93.49 32.59 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 122' ' ' VAL . 19.7 tp10 -93.78 -27.3 16.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.833 HG23 ' CG2' ' A' ' 112' ' ' THR . 7.6 p 33.95 51.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 122' ' ' VAL . 7.8 mt -35.05 -55.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 84.1 t -130.44 132.88 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -123.04 108.97 13.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.3 t -128.63 155.53 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -119.84 162.28 19.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 109' ' ' ALA . 14.0 m -66.04 -20.63 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.12 -29.11 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -86.29 -27.02 24.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.617 HD13 ' HE1' ' A' ' 134' ' ' MET . 2.4 tt -57.19 139.65 52.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.57 ' N ' HD23 ' A' ' 131' ' ' LEU . 4.0 t -109.74 -56.82 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.731 ' HB2' HG12 ' A' ' 78' ' ' VAL . 43.9 t80 -136.85 158.74 43.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.617 ' HE1' HD13 ' A' ' 131' ' ' LEU . 8.3 ptp -159.0 129.37 5.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -162.54 179.95 37.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 76.3 t -114.92 145.07 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.81 -160.94 24.83 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -55.67 -38.77 70.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.791 0.329 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -92.81 151.78 19.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.62 HG11 ' OE2' ' A' ' 15' ' ' GLU . 30.4 m -84.73 6.34 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 11.0 m80 -113.7 15.5 18.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.503 HG23 ' CZ3' ' A' ' 160' ' ' TRP . 1.3 p -125.59 108.58 11.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -125.22 129.62 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -134.73 155.28 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 8.8 p90 -140.96 134.07 29.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 22.1 mt -99.97 120.91 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.8 ptm -106.03 168.9 8.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.0 108.12 18.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 44.4 p -86.29 -37.25 18.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.96 171.73 12.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 22.5 t30 53.22 35.92 21.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 59.89 33.46 21.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 22.3 mmt-85 -98.59 143.97 28.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -132.23 119.58 21.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -106.59 115.74 30.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 8.4 t -96.48 108.38 20.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -103.21 132.49 49.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 18.5 t -107.69 144.44 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -144.3 124.78 13.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.561 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 15.9 t-105 -77.73 123.65 26.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 30.0 m -115.09 144.36 43.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 31.7 mm-40 -140.5 154.01 68.94 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.626 0.727 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.5 Cg_endo -69.7 -2.23 6.96 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.332 -0.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.459 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 22.8 p-10 -170.39 161.19 7.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -85.75 25.19 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.482 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -75.43 -44.26 45.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -70.46 -50.15 41.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 78.3 t -55.54 -63.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.2 m -44.87 -49.81 10.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -55.48 -59.26 5.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -47.07 -41.25 16.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.67 -51.64 60.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -46.27 -43.51 15.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -69.22 -41.67 76.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -48.93 -51.35 30.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 31.0 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.925 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -130.19 150.06 51.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 0.0 110.894 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 t -84.16 95.82 8.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.61 84.11 0.97 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -89.31 145.54 25.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.803 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -114.59 92.07 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.86 -53.26 10.48 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -73.88 165.81 24.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.75 93.6 5.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.085 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.66 106.03 3.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.583 HG13 ' CD ' ' A' ' 15' ' ' GLU . 11.6 t -82.48 149.23 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.401 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -104.6 154.57 38.37 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.596 0.712 . . . . 0.0 111.161 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -21.77 33.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.274 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -74.89 -26.32 59.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.583 ' CD ' HG13 ' A' ' 11' ' ' VAL . 4.4 pt-20 -93.55 -32.09 14.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 22.7 mtp85 -62.15 -28.87 69.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -89.48 -41.29 12.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 mt -65.31 -39.92 93.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 m -53.81 -57.66 10.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 21' ' ' MET . 3.1 ptmm? -54.46 -39.88 67.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.468 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 69.5 mmm -68.39 -27.38 66.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -87.78 -20.3 26.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -92.11 -61.4 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -95.79 -68.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.65 -157.47 18.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -146.07 111.49 5.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -99.39 114.65 27.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 59.0 t-20 -60.75 123.99 77.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -45.61 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.371 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 m -49.89 -55.41 14.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.447 ' CE2' ' HB2' ' A' ' 132' ' ' SER . 29.4 t80 -42.85 -55.96 3.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.91 -46.7 52.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -82.41 156.87 23.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.602 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 83.8 t80 63.07 34.02 14.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -104.29 -18.83 14.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -98.44 53.36 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 16.5 mmt -123.0 139.96 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -94.69 136.13 35.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -96.06 -48.93 5.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.2 m -49.83 108.03 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.57 -147.65 16.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.3 m -46.1 108.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.2 t -39.11 152.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.08 92.75 2.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.555 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 m -117.21 107.2 14.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.2 p -103.58 -53.14 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.6 56.49 0.16 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 99.1 p -104.2 102.94 12.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.8 m -110.09 140.25 44.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.39 146.21 12.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.523 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.1 t -144.85 158.22 43.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.935 0.397 . . . . 0.0 110.82 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.6 p -54.04 -46.27 71.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.37 -157.78 22.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.544 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 140.01 41.78 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.754 2.303 . . . . 0.0 112.354 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.7 p -60.12 142.81 89.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 145.81 58.35 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.372 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 58' ' ' THR . 19.3 tptm -87.31 152.2 22.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.45 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 8.0 t -169.83 151.32 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' HG12 ' A' ' 61' ' ' VAL . 11.7 pt-20 -91.05 -47.05 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.583 HD23 ' C ' ' A' ' 60' ' ' LEU . 7.7 tt -55.57 119.19 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.754 HG23 ' HB2' ' A' ' 107' ' ' ALA . 7.1 p -169.98 126.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -101.72 136.86 40.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -119.66 113.81 21.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -108.34 129.12 55.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -80.81 103.52 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.0 m -130.89 165.37 31.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -101.89 163.73 12.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -110.59 129.85 55.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.493 HD23 ' HB3' ' A' ' 90' ' ' LEU . 3.7 mp -99.1 -44.52 6.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 135.0 168.19 11.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.503 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 13.3 tmm? -87.72 139.02 30.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.625 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -129.18 125.65 22.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.713 . . . . 0.0 110.923 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.625 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.8 123.6 10.24 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.729 2.286 . . . . 0.0 112.326 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.463 ' CG1' HG22 ' A' ' 82' ' ' THR . 2.3 m -106.92 161.56 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -93.51 -26.77 17.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -125.65 144.1 47.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -24.54 29.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.469 HG12 ' HB2' ' A' ' 133' ' ' PHE . 25.4 m -137.63 164.06 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 120.63 118.1 2.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.0 mmt -50.48 -57.67 7.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -40.61 -43.73 1.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.463 HG22 ' CG1' ' A' ' 74' ' ' VAL . 7.0 m -63.4 -47.87 80.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.59 -53.05 62.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -57.72 -25.48 60.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.495 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 7.6 t -66.5 -37.51 85.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.34 -50.91 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 58.7 mt -46.33 -58.17 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.24 -39.6 79.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.1 m-20 -56.51 -52.32 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.493 ' HB3' HD23 ' A' ' 69' ' ' LEU . 1.8 mm? -67.96 -44.32 77.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 85.3 mtp -52.08 -33.81 41.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.8 p -81.97 -39.38 23.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.6 t -62.68 -51.28 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -119.49 156.98 29.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -90.35 159.66 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.558 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 31.0 tttt -48.27 -32.08 6.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -82.7 -42.56 17.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -48.3 -31.4 5.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.558 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 3.2 m0 -69.6 118.73 65.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 110.937 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 163.81 36.89 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 t -91.16 137.42 32.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.8 m -144.8 158.53 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -106.27 120.53 42.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 48.1 ttm -90.72 128.45 36.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -106.43 137.33 44.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 t -127.75 52.97 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.754 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -99.8 148.52 24.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.073 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.3 t0 45.25 47.46 10.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 45.17 36.1 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.712 HG23 ' HD2' ' A' ' 127' ' ' ARG . 76.6 m -122.79 143.43 49.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.9 t -106.52 116.69 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.702 ' CG2' HG13 ' A' ' 122' ' ' VAL . 3.8 m -129.75 98.93 4.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.831 HG12 HD12 ' A' ' 123' ' ' LEU . 76.0 t -68.87 90.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 115' ' ' SER . 20.8 mm -77.51 153.3 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.409 ' N ' HG22 ' A' ' 114' ' ' ILE . 1.5 t -89.45 124.46 34.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.53 -43.41 62.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp -53.38 -46.29 69.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -133.31 122.16 23.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.66 -31.35 72.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -89.76 37.55 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -129.24 98.96 5.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.702 HG13 ' CG2' ' A' ' 112' ' ' THR . 97.4 t -85.24 102.76 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.831 HD12 HG12 ' A' ' 113' ' ' VAL . 8.4 mt -70.86 -48.28 54.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 69.1 t -136.89 131.49 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -116.93 99.16 6.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.6 t -122.65 151.94 41.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.712 ' HD2' HG23 ' A' ' 110' ' ' THR . 10.4 mmm-85 -122.04 135.78 54.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.487 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 15.8 m -40.16 -25.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 127' ' ' ARG . 36.9 mmt180 -62.15 -48.23 81.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -73.32 -36.57 66.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.573 HD21 ' HB3' ' A' ' 134' ' ' MET . 1.7 tt -44.69 118.57 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.447 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 11.5 t -91.49 -65.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.469 ' HB2' HG12 ' A' ' 78' ' ' VAL . 26.3 t80 -126.68 153.07 45.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.573 ' HB3' HD21 ' A' ' 131' ' ' LEU . 4.2 ptp -158.15 129.18 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -160.28 -170.68 25.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.53 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.4 t -118.17 140.17 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -77.25 -161.91 15.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -56.05 -39.73 72.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.94 152.21 20.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 35.4 m -82.95 -3.2 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.53 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 12.2 m80 -106.77 14.47 26.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 21.6 p -121.77 107.61 12.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -124.5 128.75 49.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.432 ' HB2' HG22 ' A' ' 158' ' ' VAL . . . -133.04 151.23 52.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 9.4 p90 -138.26 134.87 34.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 21.4 mt -99.82 127.63 52.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 6.8 ptm -118.3 165.75 13.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -101.56 120.62 40.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 67.4 p -98.97 -39.81 8.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.61 -138.13 3.88 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.451 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -73.24 -67.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -117.64 20.86 13.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -89.33 123.65 33.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -122.84 125.89 46.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -115.46 118.47 33.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.9 t -98.46 113.06 24.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . 0.487 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 89.0 m-70 -102.43 128.92 48.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.432 HG22 ' HB2' ' A' ' 144' ' ' ALA . 22.1 t -106.23 140.49 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 0.487 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 17.0 m-85 -140.54 138.38 34.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.53 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 21.8 t-105 -91.23 123.82 34.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 7.9 m -113.94 155.16 26.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.539 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 60.5 mt-10 -148.65 152.34 37.64 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.692 0.758 . . . . 0.0 110.851 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.75 0.04 5.93 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.35 -0.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.487 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 42.7 p30 -169.89 173.23 6.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -96.51 27.05 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -78.08 -41.34 35.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -74.25 -44.98 50.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.82 -72.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 1.3 t -41.6 -41.61 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -64.28 -47.71 78.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.04 94.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.86 -44.02 92.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -61.9 -58.32 8.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -51.89 -34.44 41.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -56.24 -41.24 75.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 82.3 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t 67.68 42.91 1.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 p -159.22 149.9 19.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.28 -52.18 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.4 m -50.25 -61.87 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.908 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 t -157.73 163.63 37.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.7 -153.3 16.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -62.4 133.24 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 38.52 51.87 1.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.41 90.79 3.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.2 t -77.93 146.57 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.591 HG23 ' HG2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -86.52 144.04 37.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.574 0.702 . . . . 0.0 111.134 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -10.41 28.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.297 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.48 ' HG3' ' CB ' ' A' ' 166' ' ' ALA . 5.1 tp10 -76.69 -45.4 29.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.591 ' HG2' HG23 ' A' ' 12' ' ' THR . 4.4 mm-40 -67.98 -40.61 83.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' GLU . 37.8 mmm-85 -37.38 -45.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -78.33 -55.41 5.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.946 HD11 ' HB2' ' A' ' 166' ' ' ALA . 18.5 mt -45.74 -25.48 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.8 m -64.07 -61.17 2.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 21' ' ' MET . 34.0 pttt -55.04 -29.46 57.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.422 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 96.2 mmm -72.96 -39.46 66.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -72.97 -27.9 62.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -79.55 -57.8 3.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -106.63 -60.14 1.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.13 -138.05 14.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -149.36 114.01 5.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.819 0.343 . . . . 0.0 110.951 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -101.97 110.58 22.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 47.9 t-20 -62.26 123.72 79.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.645 0.736 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.5 2.05 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.9 m -47.57 -48.74 27.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -58.14 -60.0 4.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -52.12 -59.12 4.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -59.72 171.3 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -122.54 -57.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -45.78 -45.23 14.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -53.59 -32.88 52.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 45.3 mtp -85.58 45.58 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -77.28 152.27 34.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -88.25 173.87 8.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.2 m -104.05 80.58 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -162.1 154.02 24.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.4 m -102.56 150.48 23.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.5 t -43.92 -43.73 6.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.07 175.58 29.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.511 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.5 t -119.25 124.48 46.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.86 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -76.29 2.28 13.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.79 -167.87 14.52 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -45.88 119.47 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.358 . . . . 0.0 110.898 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.0 t -154.02 132.13 11.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.23 65.98 3.99 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.4 t -101.11 124.11 46.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 0.0 110.879 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -167.06 159.55 13.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -179.75 69.95 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 55' ' ' THR . 53.4 Cg_endo -69.76 151.22 69.04 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.649 2.233 . . . . 0.0 112.335 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 54' ' ' PRO . 36.0 p -35.09 138.5 0.36 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.565 0.698 . . . . 0.0 111.204 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 139.03 39.34 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -88.31 146.58 25.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.952 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.3 m -152.33 139.72 19.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -76.03 -43.85 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.2 tp -47.14 133.99 11.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.848 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.8 p -155.4 132.75 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -105.87 119.43 39.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.45 151.5 49.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -142.93 150.97 40.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -87.49 121.44 29.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 161' ' ' CYS . 35.0 m -141.44 163.55 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -101.13 151.08 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -97.51 131.47 44.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.494 HD13 HG12 ' A' ' 158' ' ' VAL . 3.5 mp -100.94 -40.7 7.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.22 162.63 10.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.601 ' CG ' ' CE1' ' A' ' 157' ' ' HIS . 7.2 tmm? -81.46 150.44 28.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.663 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -141.72 126.58 10.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.572 0.701 . . . . 0.0 110.903 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.663 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.5 Cg_endo -69.78 134.99 29.27 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.9 m -122.07 178.36 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -110.83 -25.88 9.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -129.68 145.55 57.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 -28.16 25.63 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.323 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.65 HG12 ' HB2' ' A' ' 133' ' ' PHE . 11.6 m -128.41 175.64 9.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.22 107.84 3.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.5 mmt -45.4 -46.88 13.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -50.08 -49.7 50.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.7 m -56.99 -36.79 70.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 tp -67.49 -58.3 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -49.7 -27.48 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.414 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 44.8 t -66.39 -45.78 78.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.59 -55.55 22.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.435 ' CG2' HG21 ' A' ' 142' ' ' THR . 42.9 mt -46.86 -53.49 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -63.08 -35.57 80.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 85' ' ' SER . 24.1 m-20 -60.23 -53.51 56.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 93' ' ' SER . 3.4 mm? -66.57 -54.65 21.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.958 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 89.5 mtp -41.83 -38.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.9 p -78.76 -27.99 44.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 90' ' ' LEU . 6.9 t -73.97 -49.18 25.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.3 m -121.83 156.24 33.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.8 m -87.2 172.58 9.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.513 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 57.6 tttt -59.37 -34.74 72.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.85 -40.43 28.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -49.94 -33.27 17.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.513 ' CE3' ' HA ' ' A' ' 96' ' ' LYS . 5.5 m0 -67.97 113.93 17.64 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 164.06 35.93 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.704 2.269 . . . . 0.0 112.37 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.2 m -91.68 139.13 30.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.3 m -146.01 155.19 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -101.26 128.81 47.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 58.7 ttm -100.38 140.44 34.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -115.57 132.79 56.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.642 ' O ' HG12 ' A' ' 106' ' ' VAL . 36.2 t -122.3 42.52 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.848 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -91.91 151.91 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.084 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.8 t70 46.27 38.31 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.492 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 51.17 34.71 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.079 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.42 HG23 ' HG3' ' A' ' 127' ' ' ARG . 87.5 m -123.57 141.39 52.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.9 t -101.54 113.78 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.442 ' CG2' HG13 ' A' ' 122' ' ' VAL . 6.6 m -125.17 101.82 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.573 HG12 HD12 ' A' ' 123' ' ' LEU . 93.2 t -70.01 94.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 115' ' ' SER . 8.6 mm -84.53 157.37 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.441 ' N ' HG22 ' A' ' 114' ' ' ILE . 4.9 t -90.48 155.36 18.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -79.69 -44.44 20.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -35.66 75.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -138.55 128.88 25.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.408 ' O ' ' CG2' ' A' ' 114' ' ' ILE . 35.4 tt0 -72.13 -40.5 68.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.413 ' H ' ' CD ' ' A' ' 120' ' ' GLU . 0.9 OUTLIER -82.33 39.93 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -127.53 85.52 2.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.442 HG13 ' CG2' ' A' ' 112' ' ' THR . 77.2 t -75.26 94.07 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.573 HD12 HG12 ' A' ' 113' ' ' VAL . 7.4 mt -61.36 -44.49 97.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 77.1 t -142.24 122.43 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -104.16 106.03 16.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.454 ' HG ' ' CB ' ' A' ' 147' ' ' MET . 3.6 t -134.59 158.03 45.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.549 ' NH1' ' CE1' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -128.88 -179.12 4.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.832 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 16.4 m -82.15 -21.67 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -49.66 47.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.549 ' CE1' ' NH1' ' A' ' 127' ' ' ARG . 23.7 m-85 -72.0 -26.02 62.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 132' ' ' SER . 2.4 tt -56.26 132.54 50.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.469 ' N ' HD23 ' A' ' 131' ' ' LEU . 88.9 p -97.77 -65.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.65 ' HB2' HG12 ' A' ' 78' ' ' VAL . 47.8 t80 -130.49 151.47 50.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 3.9 ptp -153.51 111.31 3.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -143.08 -177.75 18.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.9 t -110.19 146.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -85.95 -161.64 35.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -53.3 -35.3 59.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.331 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.05 161.36 13.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.1 m -92.92 -3.36 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.463 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 13.2 m80 -102.84 7.34 39.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.435 HG21 ' CG2' ' A' ' 87' ' ' ILE . 1.2 p -117.95 107.07 13.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -121.12 129.21 53.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -134.69 156.99 47.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 11.5 p90 -147.09 136.63 22.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' A' ' 154' ' ' PHE . 3.6 mp -95.72 117.69 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.454 ' CB ' ' HG ' ' A' ' 126' ' ' CYS . 6.3 ptm -110.65 155.57 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -97.59 112.85 24.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 40.9 p -95.03 -37.09 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -122.22 -140.72 5.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.469 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -71.82 -69.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.526 ' O ' ' CE1' ' A' ' 154' ' ' PHE . 8.8 mm-40 -119.21 11.9 12.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.55 131.09 38.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.526 ' CE1' ' O ' ' A' ' 152' ' ' GLN . 1.6 m-85 -123.62 118.81 28.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.464 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 3.1 mp0 -105.47 119.43 39.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.3 112.67 24.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . 0.601 ' CE1' ' CG ' ' A' ' 71' ' ' MET . 85.2 m-70 -108.6 131.27 55.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.494 HG12 HD13 ' A' ' 69' ' ' LEU . 47.5 t -105.72 140.77 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 22.2 m-85 -140.07 128.41 22.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.463 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 22.1 t-105 -82.01 122.84 28.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.449 ' HA ' HG12 ' A' ' 66' ' ' VAL . 71.5 m -110.81 148.39 32.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.538 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 5.1 mm-40 -142.54 151.78 58.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.8 Cg_endo -69.72 0.23 5.81 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.34 -0.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.488 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 29.1 p30 -173.25 169.01 4.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -88.93 8.95 26.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.946 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -61.07 -43.45 98.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -72.99 -64.21 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 169' ' ' SER . 81.0 t -44.67 -60.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 168' ' ' VAL . 96.3 p -37.94 -49.27 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -66.81 -45.18 79.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.26 -31.69 33.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 24.5 t -83.15 -45.13 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -56.3 -62.88 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.17 -47.38 35.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.492 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -44.31 -37.5 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 60.1 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 t -56.59 92.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m -88.59 174.32 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.34 94.95 1.86 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 p -55.67 128.62 35.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -88.03 -46.37 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.46 83.86 0.5 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.23 154.65 19.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.94 91.96 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.95 106.5 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.524 HG23 ' CD ' ' A' ' 15' ' ' GLU . 1.5 p -123.36 151.66 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -98.5 149.09 35.39 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.612 0.72 . . . . 0.0 111.121 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -7.11 20.25 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -96.21 -35.97 11.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.524 ' CD ' HG23 ' A' ' 11' ' ' VAL . 5.2 pt-20 -72.99 -22.89 60.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -56.27 -42.8 78.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -78.18 -49.49 13.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 mt -46.42 -36.45 6.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.9 m -45.04 -59.1 2.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -41.1 68.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 54.0 mmm -60.57 -40.43 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -78.53 -21.81 48.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -81.73 -68.54 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.85 -65.99 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.37 -166.66 16.9 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.547 ' CD2' ' HB2' ' A' ' 173' ' ' GLN . 4.0 t80 -132.45 112.31 12.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.881 0.372 . . . . 0.0 110.913 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -96.27 121.1 37.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 50.4 t-20 -60.6 122.28 66.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.71 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HA ' ' HG2' ' A' ' 32' ' ' LYS . 53.9 Cg_endo -69.79 -50.93 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.631 2.221 . . . . 0.0 112.368 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m -45.2 -39.62 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -67.6 -70.54 0.25 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -43.96 -44.2 7.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.434 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 9.2 m-85 -57.55 141.98 46.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -75.6 61.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -75.98 61.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 37' ' ' MET . 38.0 tt0 63.12 35.77 12.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.47 ' CE ' ' HB2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER 34.5 35.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' GLN . 8.4 tt0 -108.87 76.41 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -93.49 38.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 76.8 p -162.43 166.53 24.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.56 -156.52 21.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -134.23 135.42 42.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.826 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.3 t -53.19 112.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.82 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.98 39.72 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 m -80.21 83.81 6.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.7 m -78.96 84.9 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -36.99 -43.78 0.91 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.5 p -92.67 147.67 22.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.857 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.7 t -81.55 145.87 30.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.55 -148.32 19.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.9 t -80.67 103.9 10.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.936 0.398 . . . . 0.0 110.846 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -77.26 -50.16 13.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.52 169.32 32.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' THR . 53.6 Cg_endo -69.75 96.64 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' PRO . 41.6 p -37.49 147.43 0.23 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.622 0.725 . . . . 0.0 111.125 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 112.8 3.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.375 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -104.19 147.33 27.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.7 t -141.88 131.26 23.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 60' ' ' LEU . 40.0 mt-10 -89.66 -43.24 10.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' GLU . 20.0 tp -36.63 134.12 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.418 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.4 p -158.06 143.36 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -117.7 135.78 53.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -114.43 126.03 54.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -117.88 129.84 55.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.8 ttm-85 -83.83 106.4 15.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.824 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.7 m -133.95 172.73 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -111.68 154.22 25.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -100.27 132.32 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 mp -102.89 -44.91 5.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.16 173.29 12.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.485 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.476 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 9.4 tmm? -95.95 143.15 27.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.761 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -131.22 129.87 22.51 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.654 0.74 . . . . 0.0 110.918 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.761 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.6 Cg_endo -69.75 133.1 24.77 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.326 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.7 m -124.35 157.72 31.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -91.2 -28.44 17.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 mmm-85 -124.97 143.19 43.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -27.17 27.08 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.712 2.275 . . . . 0.0 112.359 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.912 HG12 ' HB2' ' A' ' 133' ' ' PHE . 16.2 m -130.36 170.49 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.17 119.0 2.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.0 mmt -52.22 -63.31 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -41.99 -43.0 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.2 m -60.47 -46.85 88.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.45 -58.11 9.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -46.97 -23.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.488 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 10.9 t -69.26 -40.45 77.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.26 -54.67 18.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.1 mt -47.26 -58.18 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -58.49 -42.83 88.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 85' ' ' SER . 19.3 m-20 -50.31 -61.31 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 93' ' ' SER . 4.3 mm? -62.08 -52.8 62.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 48.8 mtp -40.13 -39.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 35.8 p -82.09 -31.23 30.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.137 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 90' ' ' LEU . 28.2 t -63.51 -53.87 45.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.3 m -122.22 164.26 18.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.492 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 1.1 t -81.66 175.29 10.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.479 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 53.5 tttm -69.52 -30.8 68.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -81.21 -42.26 21.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.22 -36.23 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.492 ' NE1' ' O ' ' A' ' 95' ' ' SER . 7.1 m0 -60.5 114.64 10.66 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.595 0.712 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 155.58 65.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.724 2.283 . . . . 0.0 112.369 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.4 m -82.99 142.17 31.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 35.9 m -151.54 145.63 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -94.12 123.62 37.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.449 ' SD ' HG22 ' A' ' 113' ' ' VAL . 18.7 tpp -94.88 133.15 38.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -108.79 137.99 45.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.737 ' O ' HG12 ' A' ' 106' ' ' VAL . 63.7 t -126.8 47.73 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.418 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -92.74 150.91 20.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t0 44.68 45.21 7.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 46.8 35.56 3.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.594 HG23 ' HD2' ' A' ' 127' ' ' ARG . 97.6 m -122.0 140.76 52.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.4 t -101.85 117.0 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.722 ' CG2' HG13 ' A' ' 122' ' ' VAL . 6.9 m -130.24 110.21 11.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.611 HG12 HD12 ' A' ' 123' ' ' LEU . 97.4 t -74.55 90.37 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 115' ' ' SER . 31.2 mm -78.84 155.69 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.448 ' N ' HG22 ' A' ' 114' ' ' ILE . 75.6 p -78.39 168.84 19.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -87.47 -63.27 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -53.49 -43.62 68.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -110.12 164.68 12.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -110.51 -40.94 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -83.17 38.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -120.98 87.72 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.722 HG13 ' CG2' ' A' ' 112' ' ' THR . 94.2 t -76.99 91.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.611 HD12 HG12 ' A' ' 113' ' ' VAL . 8.3 mt -62.69 -49.28 75.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 69.8 t -136.69 119.82 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -106.93 111.98 24.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.4 t -139.45 146.93 40.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.594 ' HD2' HG23 ' A' ' 110' ' ' THR . 8.4 mpt_? -114.78 149.15 37.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.436 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.8 m -48.79 -25.65 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -64.89 -46.62 80.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -67.18 -40.01 86.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.616 HD23 ' N ' ' A' ' 132' ' ' SER . 2.2 tt -39.85 136.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.616 ' N ' HD23 ' A' ' 131' ' ' LEU . 77.9 p -109.61 -52.66 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.912 ' HB2' HG12 ' A' ' 78' ' ' VAL . 28.1 t80 -147.63 145.96 29.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 134' ' ' MET . 0.0 OUTLIER -135.35 138.92 43.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -160.34 170.94 36.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 142' ' ' THR . 99.3 t -120.82 143.65 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 111.129 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -82.15 -176.64 51.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -48.2 -40.54 24.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -92.17 128.2 37.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 165' ' ' ALA . 35.1 m -62.25 -12.65 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 8.7 m80 -89.66 15.89 8.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.47 ' O ' HG13 ' A' ' 136' ' ' VAL . 80.6 p -125.5 121.35 33.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.501 ' CZ ' HG21 ' A' ' 172' ' ' VAL . 54.8 t80 -134.01 128.26 33.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -134.66 148.94 50.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 6.3 p90 -146.02 133.4 20.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 56.0 mt -95.49 135.84 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 5.8 ptm -124.46 159.87 29.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.5 114.58 26.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 63.5 p -93.41 -42.89 9.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -130.2 -127.66 2.93 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -91.72 -63.76 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.757 0.313 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -114.88 20.99 14.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -99.71 126.73 45.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -125.34 125.06 42.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -112.53 118.72 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.8 t -101.69 112.8 25.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -102.77 131.43 49.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.92 148.57 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -146.11 139.43 25.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.578 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 50.1 t-105 -93.85 121.93 35.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 3.3 m -108.94 161.51 15.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.547 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 26.9 mt-10 -160.99 152.22 15.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.712 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.3 Cg_endo -69.79 -0.31 6.15 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.355 0.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.475 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 53.1 p-10 -166.1 162.28 17.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 140' ' ' VAL . . . -92.35 30.34 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -79.15 -47.41 16.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -66.77 -44.78 80.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 170' ' ' GLU . 96.9 t -67.4 -73.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 168' ' ' VAL . 17.8 p -34.63 -34.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 168' ' ' VAL . 5.9 tp10 -78.33 -52.65 8.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -55.69 -13.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.501 HG21 ' CZ ' ' A' ' 143' ' ' PHE . 57.7 t -87.76 -66.15 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . 0.547 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . 15.4 pt20 -54.1 -50.22 67.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' A' ' 173' ' ' GLN . . . -48.67 -40.93 29.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.91 86.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 74.8 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -150.31 178.21 9.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -65.8 153.23 42.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.0 128.28 2.56 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -108.77 147.85 31.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 0.0 110.912 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 p -175.03 137.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.44 -70.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -42.45 151.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.51 79.38 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.4 92.66 3.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -140.06 141.55 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.32 154.89 37.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.727 . . . . 0.0 111.12 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.2 18.03 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -96.09 -24.01 16.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' ARG . 57.8 mt-10 -75.29 -46.4 33.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' GLU . 46.9 mtp85 -35.94 -49.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -66.63 -47.56 72.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.408 HD11 HD21 ' A' ' 164' ' ' ASN . 87.4 mt -55.23 -39.25 69.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 m -41.71 -66.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -41.13 -38.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.2 mtp -71.14 -45.12 64.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -63.12 -32.47 73.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -84.03 -60.79 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -94.52 -58.63 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.21 -144.09 15.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 173' ' ' GLN . 3.5 t80 -153.55 107.8 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.35 . . . . 0.0 110.927 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.561 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 9.4 mp0 -102.85 136.08 43.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -91.16 107.56 22.13 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -30.68 21.94 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.274 . . . . 0.0 112.332 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' TYR . 60.6 m -59.91 -46.07 90.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' A' ' 30' ' ' THR . 53.3 t80 -35.67 -39.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -69.35 -49.59 54.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 30' ' ' THR . 83.6 m-85 -70.36 -15.72 62.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -92.22 -40.16 11.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -53.48 -47.06 70.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -157.95 130.65 7.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.13 178.18 1.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -130.94 -44.8 1.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -57.38 -51.5 69.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 m -88.17 170.58 10.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.95 -83.59 0.25 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.6 t -96.21 -45.22 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.2 p -63.0 98.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.3 -34.86 0.83 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 t -64.58 -57.38 9.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.6 m 59.08 29.97 19.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.04 -103.34 1.67 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.2 p -73.43 92.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.7 t -88.97 119.37 29.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.58 151.92 20.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.9 t -153.03 109.71 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.3 t -65.64 91.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.17 -148.05 21.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.65 19.72 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.639 2.226 . . . . 0.0 112.382 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.6 p -72.52 142.74 84.33 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.587 0.708 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 123.79 10.45 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -66.35 143.29 57.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.4 m -153.35 124.48 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -81.83 -36.06 28.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.7 tp -84.36 133.47 34.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.95 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.7 p -160.43 130.13 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -103.15 120.0 39.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 145.29 51.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 6.4 m-85 -126.49 -179.09 4.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.7 ttp85 -118.86 104.98 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.3 m -129.43 177.2 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -114.77 153.64 29.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -97.38 133.09 42.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.563 HD13 HG12 ' A' ' 158' ' ' VAL . 2.5 mp -102.24 -41.62 6.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.88 173.71 13.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.459 ' HG2' ' N ' ' A' ' 72' ' ' LEU . 17.8 ttp -93.94 147.15 23.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.697 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -138.97 128.46 14.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.663 0.744 . . . . 0.0 110.905 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.697 ' HD2' HD13 ' A' ' 72' ' ' LEU . 54.2 Cg_endo -69.75 130.48 19.42 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.34 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.9 m -117.69 159.71 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -89.32 -30.14 18.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -130.87 145.11 56.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.447 ' HD3' ' CE2' ' A' ' 154' ' ' PHE . 53.2 Cg_endo -69.8 -17.74 37.24 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.826 HG12 ' HB2' ' A' ' 133' ' ' PHE . 15.7 m -136.21 166.3 27.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.98 113.92 2.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.4 mmt -47.08 -55.32 8.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.766 0.317 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -47.78 -43.6 27.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.5 m -58.24 -40.47 81.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tp -68.18 -61.32 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -43.48 -33.8 1.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.424 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 21.3 t -63.71 -44.78 92.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.31 -54.3 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 37.1 mt -49.07 -55.8 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -60.63 -37.73 82.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 85' ' ' SER . 19.6 m-20 -56.06 -54.18 48.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.471 HD21 ' HB2' ' A' ' 72' ' ' LEU . 4.2 mm? -67.88 -53.38 27.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.473 ' SD ' ' CH2' ' A' ' 99' ' ' TRP . 76.6 mmm -42.23 -40.54 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.3 p -75.48 -30.4 59.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 90' ' ' LEU . 10.5 t -60.51 -55.09 37.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 m -125.56 -179.7 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.489 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 24.3 p -92.06 177.81 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.57 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 29.7 tttm -72.09 -27.26 62.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -87.59 -27.02 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.52 -22.43 66.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.57 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 6.9 m0 -72.12 122.21 86.74 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.572 0.701 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 154.72 67.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.8 p -83.4 128.44 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 27.5 m -140.82 153.37 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -105.51 132.58 51.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.7 ttm -103.33 128.14 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -99.54 141.4 32.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 t -131.55 48.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.95 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -96.81 153.33 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.9 t70 46.6 41.53 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 51.19 32.37 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.694 HG23 ' HD3' ' A' ' 127' ' ' ARG . 24.9 m -121.49 145.55 47.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 42.1 t -108.47 119.69 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 2.5 m -130.11 117.36 19.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 88.3 t -83.14 92.03 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 115' ' ' SER . 6.0 mm -84.78 160.67 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 114' ' ' ILE . 8.5 t -93.59 153.61 18.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -76.74 -24.56 52.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -69.11 -48.53 62.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -130.6 162.03 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -96.88 -18.12 19.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -101.78 31.43 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -116.26 79.94 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 122' ' ' VAL . 0.7 OUTLIER -75.83 92.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.05 -44.31 92.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.1 t -139.55 138.49 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.411 ' HG2' ' NH1' ' A' ' 127' ' ' ARG . 50.2 tt0 -126.35 102.66 7.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.501 ' HG ' ' CB ' ' A' ' 147' ' ' MET . 2.6 t -121.27 155.88 33.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.694 ' HD3' HG23 ' A' ' 110' ' ' THR . 4.0 mmt-85 -123.86 146.3 48.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.612 HG23 ' H ' ' A' ' 129' ' ' ARG . 6.9 m -50.24 -56.59 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.612 ' H ' HG23 ' A' ' 128' ' ' VAL . 0.0 OUTLIER -46.64 -36.43 6.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.411 ' N ' ' HG2' ' A' ' 129' ' ' ARG . 12.0 m-85 -78.63 -24.88 45.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.611 HD21 ' HB3' ' A' ' 134' ' ' MET . 1.7 tt -54.54 124.51 16.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.6 p -90.32 -57.65 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.826 ' HB2' HG12 ' A' ' 78' ' ' VAL . 18.7 t80 -147.76 147.1 29.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.611 ' HB3' HD21 ' A' ' 131' ' ' LEU . 5.1 ptp -148.32 144.14 27.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -170.03 -176.57 39.76 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.524 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 61.1 t -116.49 139.79 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.85 -169.85 31.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -35.12 25.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -94.87 158.22 15.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.458 ' O ' ' HB3' ' A' ' 165' ' ' ALA . 32.8 m -84.87 -18.82 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 14.1 m80 -91.98 19.31 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.4 p -121.73 104.46 9.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -123.32 128.06 49.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -139.47 169.46 17.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.512 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 7.8 p90 -161.94 138.26 7.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.01 140.7 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . 0.501 ' CB ' ' HG ' ' A' ' 126' ' ' CYS . 20.0 ptm -132.58 156.14 47.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -94.62 115.46 27.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 80.8 p -90.11 -44.45 9.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -117.42 -116.9 2.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -108.6 -62.94 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.938 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -110.35 15.2 22.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -103.73 133.19 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.447 ' CE2' ' HD3' ' A' ' 77' ' ' PRO . 1.5 m-85 -131.61 129.45 40.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -110.92 140.63 45.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 4.2 t -110.85 120.93 44.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -109.77 126.61 53.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.563 HG12 HD13 ' A' ' 69' ' ' LEU . 99.0 t -104.84 143.41 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -141.07 131.99 26.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.574 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 58.5 t-105 -87.98 127.5 35.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 3.4 m -115.77 155.6 27.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.548 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 47.7 mt-10 -154.23 153.08 27.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.7 Cg_endo -69.73 -3.23 7.53 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.353 -0.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.838 ' ND2' ' HB2' ' A' ' 166' ' ' ALA . 6.2 t30 -165.76 144.86 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.518 ' N ' ' OD1' ' A' ' 164' ' ' ASN . . . -79.81 42.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.838 ' HB2' ' ND2' ' A' ' 164' ' ' ASN . . . -87.07 -48.34 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -64.78 -42.82 94.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 63.4 t -63.81 -64.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 81.3 p -47.5 -30.16 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -76.58 -47.38 22.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -58.94 -40.83 85.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.461 ' O ' ' HB3' ' A' ' 175' ' ' ALA . 73.4 t -66.24 -37.21 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . 0.579 ' HG2' ' CD2' ' A' ' 26' ' ' TYR . 39.1 mt-30 -55.72 -63.31 1.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -51.54 -39.02 56.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 172' ' ' VAL . . . -45.47 -48.04 13.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.082 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.93 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -118.75 175.46 5.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.1 p -60.4 123.94 18.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.8 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.01 -179.21 16.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -149.06 146.09 27.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.884 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -101.05 -50.93 3.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.55 64.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -163.98 168.94 18.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.86 34.95 3.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.066 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.65 89.36 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 12' ' ' THR . 21.3 t -77.64 157.54 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.621 HG23 ' CD ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -101.14 153.93 37.47 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.575 0.702 . . . . 0.0 111.181 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -6.94 19.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.65 -22.09 17.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.621 ' CD ' HG23 ' A' ' 12' ' ' THR . 31.3 mt-10 -84.44 -50.53 7.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -50.56 -38.6 46.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -78.18 -57.82 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 166' ' ' ALA . 16.5 mt -55.39 -23.34 24.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -71.83 -50.71 27.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -62.83 -32.44 73.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 81.6 mmm -70.99 -30.86 67.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -83.01 -41.61 18.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -57.46 -62.09 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -117.5 -50.42 2.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.5 -158.59 14.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -134.99 103.24 5.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.912 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -89.5 108.74 19.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -54.11 122.36 35.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.596 0.712 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.04 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.321 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 34' ' ' PHE . 22.1 m -44.28 -45.41 8.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -39.9 -48.32 2.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -66.04 -62.18 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -56.76 -14.75 3.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 30' ' ' THR . 5.7 t80 -133.57 77.12 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -121.53 -47.86 2.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -133.76 88.59 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 16.3 mmt -118.65 127.48 53.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -150.14 160.38 43.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -82.98 117.85 23.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.5 t -134.87 141.39 46.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.42 -116.87 4.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -69.9 132.3 45.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.37 . . . . 0.0 110.854 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t -131.88 88.2 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.87 176.95 36.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.441 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 m 46.39 41.71 9.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.4 m -65.85 92.95 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -134.48 85.02 0.27 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.6 t -97.79 127.03 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 0.0 110.858 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.2 p -164.0 154.48 15.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.04 79.96 1.41 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.4 m -110.85 175.25 5.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.6 p -114.41 149.8 35.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.71 76.08 0.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 101.85 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.5 p -100.31 137.68 20.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.557 0.694 . . . . 0.0 111.166 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 176.12 7.19 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 pttt -109.54 173.0 6.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.3 p -120.8 128.23 52.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -53.95 -31.38 50.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 tp -72.42 115.99 12.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.6 p -157.79 141.66 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -120.7 124.36 45.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.21 115.92 30.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -107.44 132.21 53.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -82.95 95.93 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 161' ' ' CYS . 31.5 m -125.72 162.48 28.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -102.46 154.23 19.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -98.61 130.11 45.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.532 HD22 ' CG1' ' A' ' 158' ' ' VAL . 4.5 mp -98.81 -41.69 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.66 164.09 11.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.2 ttp -82.77 145.38 29.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.609 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -137.78 127.4 15.15 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.607 0.717 . . . . 0.0 110.919 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.609 ' HD2' HD13 ' A' ' 72' ' ' LEU . 54.1 Cg_endo -69.72 126.21 13.06 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 m -108.68 -179.27 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -115.75 -18.15 10.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -138.64 146.56 51.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.643 0.735 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -25.82 28.44 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.645 2.23 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.75 HG12 ' HB2' ' A' ' 133' ' ' PHE . 20.0 m -134.96 166.64 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 116.57 113.22 2.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 83' ' ' LEU . 2.3 mmt -47.49 -56.98 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -39.61 -41.62 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.2 m -65.79 -38.95 90.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.503 HD21 ' O ' ' A' ' 135' ' ' GLY . 1.8 tp -69.43 -54.53 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -54.1 -22.69 11.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.467 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 13.4 t -74.95 -44.02 50.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.68 -50.28 63.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 58.5 mt -49.54 -51.91 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -65.16 -37.63 88.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 85' ' ' SER . 25.8 m-20 -55.2 -48.33 74.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.499 ' CD2' HD23 ' A' ' 72' ' ' LEU . 3.0 mm? -74.98 -46.33 36.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 67.2 mtp -51.35 -27.49 9.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.4 p -84.05 -44.12 14.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.2 p -61.36 -50.58 72.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.2 m -116.48 161.08 19.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.467 ' O ' ' CE2' ' A' ' 99' ' ' TRP . 1.1 t -91.37 -179.0 5.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.817 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.473 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 65.4 tttt -66.84 -33.03 74.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -79.68 -44.17 21.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -45.21 -33.96 2.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.473 ' CE3' ' HA ' ' A' ' 96' ' ' LYS . 9.8 m0 -64.42 112.4 7.65 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 138.47 37.93 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.686 2.258 . . . . 0.0 112.383 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 t -67.03 141.14 57.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 33.0 m -149.62 148.82 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -96.92 116.74 29.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.483 ' SD ' HG22 ' A' ' 113' ' ' VAL . 22.4 tpp -88.07 130.3 35.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -105.46 140.05 39.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.655 ' O ' HG12 ' A' ' 106' ' ' VAL . 38.7 t -130.54 41.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.35 149.83 23.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.7 t70 46.19 43.92 11.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 49.16 34.81 6.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.5 m -121.84 137.58 54.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 38.8 t -101.78 120.48 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.547 ' CG2' HG13 ' A' ' 122' ' ' VAL . 2.6 m -133.03 113.76 13.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.183 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.483 HG22 ' SD ' ' A' ' 104' ' ' MET . 91.3 t -79.83 85.39 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.475 ' CD1' HG22 ' A' ' 122' ' ' VAL . 10.0 mm -77.23 145.92 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -79.56 136.45 36.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -65.08 -34.61 78.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -69.14 -38.39 78.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -133.65 121.23 21.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -67.18 -41.42 85.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -83.84 41.05 0.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -133.51 88.21 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.592 HG11 ' HB2' ' A' ' 125' ' ' GLU . 54.0 t -79.12 101.02 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.438 HD12 HG12 ' A' ' 113' ' ' VAL . 19.4 mt -67.75 -43.57 79.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 47.7 t -143.74 114.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.592 ' HB2' HG11 ' A' ' 122' ' ' VAL . 35.2 tt0 -102.44 99.47 9.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.85 155.45 31.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 41.6 mtt85 -120.25 171.31 8.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 109' ' ' ALA . 19.1 m -77.18 -34.98 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.47 ' CD ' ' H ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -64.95 -26.48 68.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -91.26 -26.37 19.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 134' ' ' MET . 1.5 tt -58.69 136.88 57.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.3 t -103.74 -69.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.75 ' HB2' HG12 ' A' ' 78' ' ' VAL . 43.1 t80 -126.16 154.09 43.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.522 ' HB3' HD21 ' A' ' 131' ' ' LEU . 5.8 ptp -160.12 122.22 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.503 ' O ' HD21 ' A' ' 83' ' ' LEU . . . -150.66 175.32 29.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.9 t -103.4 129.01 55.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.43 -160.75 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.455 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -55.34 -45.64 76.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -89.34 164.33 14.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.1 m -93.45 11.32 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.547 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 10.4 m80 -117.58 19.1 14.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.4 p -131.22 105.28 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -116.73 129.31 56.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -137.0 155.18 50.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.526 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 5.1 p90 -148.81 140.58 23.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.7 mp -98.19 127.33 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 8.5 ptm -112.66 161.24 17.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -103.71 105.31 15.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.502 HG21 ' OE2' ' A' ' 155' ' ' GLU . 48.4 p -83.81 -44.26 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.147 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 146.64 158.05 7.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 21.5 t30 66.09 34.44 6.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 61.77 27.72 16.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -95.22 137.57 34.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -124.3 117.29 24.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.502 ' OE2' HG21 ' A' ' 149' ' ' THR . 88.9 mt-10 -105.56 118.15 35.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.1 t -96.7 115.26 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 159' ' ' PHE . 90.9 m-70 -106.44 126.33 52.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.532 ' CG1' HD22 ' A' ' 69' ' ' LEU . 21.6 t -103.43 138.94 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 157' ' ' HIS . 27.5 m-85 -139.6 136.84 34.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.547 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 31.7 t-105 -87.74 126.14 34.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.564 ' SG ' HG21 ' A' ' 168' ' ' VAL . 78.6 m -109.44 158.14 18.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.543 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 72.4 mt-10 -155.54 149.51 19.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.639 0.733 . . . . 0.0 110.866 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.1 Cg_endo -69.74 0.99 5.49 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.312 -0.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.483 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 33.4 p-10 -167.32 173.19 9.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.411 ' C ' HD21 ' A' ' 18' ' ' LEU . . . -96.83 31.45 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.558 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -86.49 -48.24 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -68.96 -47.58 65.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.564 HG21 ' SG ' ' A' ' 161' ' ' CYS . 37.5 t -57.46 -64.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 3.8 m -43.75 -50.16 7.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -55.66 -51.77 66.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.58 -43.32 46.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 57.1 t -72.07 -41.67 67.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -60.16 -60.9 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.38 -41.16 28.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.455 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -53.36 -43.62 67.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 86.5 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.908 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t -141.35 139.87 33.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.828 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -76.29 -45.91 30.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.1 95.57 0.74 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -139.69 147.19 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 m -89.37 39.71 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.21 -133.58 1.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.413 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 21.4 t0 58.67 46.02 15.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.24 108.77 13.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.2 91.42 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.843 HG23 ' CD ' ' A' ' 15' ' ' GLU . 7.3 p -142.5 138.87 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -81.57 148.83 63.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.53 0.681 . . . . 0.0 111.13 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -9.43 26.09 Favored 'Trans proline' 0 C--N 1.34 0.112 0 C-N-CA 122.683 2.255 . . . . 0.0 112.314 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.544 ' OE1' ' HB1' ' A' ' 166' ' ' ALA . 3.4 mm-40 -95.7 -25.86 15.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.843 ' CD ' HG23 ' A' ' 11' ' ' VAL . 4.6 pt-20 -84.47 -26.79 27.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -50.12 -37.49 34.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -91.23 -57.74 2.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.422 HD13 ' HB ' ' A' ' 140' ' ' VAL . 39.3 mt -48.59 -28.0 3.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 m -57.43 -55.83 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -60.38 -36.65 78.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 44.2 mmm -64.11 -42.02 97.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -75.42 -27.5 59.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -71.47 -64.98 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.8 -51.48 2.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.08 -161.37 12.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -127.07 98.16 5.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.924 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -83.48 105.83 14.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -58.85 118.85 32.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.85 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -37.26 9.33 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.4 m -44.0 -56.05 4.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -45.38 -63.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -55.91 -61.77 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -47.15 148.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -126.35 -50.07 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.0 -24.66 1.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -81.07 -39.4 25.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 51.6 ttp -94.84 83.03 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -52.05 142.63 15.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -122.64 79.22 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.1 m -67.18 111.58 4.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.5 146.97 0.17 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.3 p -115.53 -46.87 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.7 m -85.59 149.16 25.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.52 43.89 77.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 t -39.78 -55.33 1.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.839 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.0 p -147.81 143.73 27.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.61 42.04 1.99 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.3 p -174.08 155.85 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 110.87 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' GLY . 16.7 m -99.04 -43.82 6.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' SER . . . 35.94 -141.98 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.547 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.0 m -146.62 138.82 24.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.3 m -136.46 120.9 18.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.86 -149.03 4.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.474 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 126.92 13.84 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.627 2.218 . . . . 0.0 112.309 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 24.3 p -54.28 149.01 21.0 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.561 0.695 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -166.37 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.328 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt 38.88 40.61 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.1 m -75.25 107.82 7.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -94.05 -45.49 7.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 tp -96.84 119.96 36.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.602 HG23 ' HB2' ' A' ' 107' ' ' ALA . 5.7 p -159.44 124.63 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -100.41 136.33 40.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -120.43 119.6 33.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -112.83 150.32 31.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -98.96 103.15 15.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.2 m -130.51 167.3 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -109.9 154.67 22.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.2 130.07 45.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 mp -101.43 -40.1 7.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 131.89 168.54 12.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.539 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.402 ' HB2' ' CE1' ' A' ' 157' ' ' HIS . 19.5 ttp -91.98 145.24 24.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.589 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -135.98 126.68 16.75 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.593 0.711 . . . . 0.0 110.95 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.589 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.71 130.84 20.1 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.273 . . . . 0.0 112.326 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.07 169.77 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.35 -30.26 13.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -125.55 150.63 68.59 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.553 0.692 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -25.57 28.24 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.652 2.234 . . . . 0.0 112.308 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.798 HG12 ' HB2' ' A' ' 133' ' ' PHE . 15.8 m -138.34 173.05 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.54 122.77 3.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 83' ' ' LEU . 4.3 mmt -54.3 -63.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.771 0.32 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -41.37 -36.06 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -72.03 -36.23 69.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 80' ' ' MET . 4.9 tp -72.35 -54.53 9.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -45.53 -28.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.465 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 19.8 t -65.19 -44.67 87.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.14 -57.4 11.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 45.4 mt -48.4 -54.99 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -61.65 -37.29 83.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.0 m-20 -56.79 -58.58 7.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 72' ' ' LEU . 2.3 mm? -65.87 -43.93 86.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 32.2 mtp -48.0 -48.56 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.1 t -80.56 -21.18 41.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.7 t -66.05 -49.42 67.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.0 m -130.58 -177.24 4.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.4 m -104.64 163.63 12.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.584 ' HD2' ' CZ3' ' A' ' 99' ' ' TRP . 18.7 tptp -53.34 -44.72 68.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -62.16 -40.22 95.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -53.8 -37.25 63.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.584 ' CZ3' ' HD2' ' A' ' 96' ' ' LYS . 10.9 m0 -63.73 111.47 5.32 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.532 0.682 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 99' ' ' TRP . 54.0 Cg_endo -69.79 140.49 42.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.637 2.225 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.9 m -70.67 133.95 47.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.8 m -143.01 149.46 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 114' ' ' ILE . 36.9 m-80 -95.09 123.87 38.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 58.9 ttm -94.2 129.57 40.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -104.3 145.6 30.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.6 t -134.45 50.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.602 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -98.47 152.51 19.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.2 t70 47.56 40.2 11.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.707 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 51.24 31.33 6.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.07 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 48.2 m -119.48 139.99 51.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 48.1 t -104.33 111.84 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.2 m -125.53 118.56 26.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.415 HG21 ' CE2' ' A' ' 159' ' ' PHE . 87.3 t -81.67 97.74 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 103' ' ' ASN . 4.9 mm -89.43 145.99 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.3 t -79.2 156.24 28.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -78.85 -36.35 42.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -54.78 -46.07 74.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -135.41 164.68 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -97.31 -21.72 17.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -98.1 31.02 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -114.83 77.8 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 122' ' ' VAL . 0.9 OUTLIER -74.2 85.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.5 mt -59.47 -44.29 93.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 25.1 t -141.88 130.27 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -116.61 99.96 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.9 t -118.6 146.95 44.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -115.62 174.78 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 109' ' ' ALA . 23.3 m -84.97 -24.06 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -74.87 -31.64 61.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.819 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -87.01 -30.98 20.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 132' ' ' SER . 2.5 tt -48.67 139.81 9.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.451 ' N ' HD23 ' A' ' 131' ' ' LEU . 33.9 t -104.48 -62.03 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.798 ' HB2' HG12 ' A' ' 78' ' ' VAL . 74.3 t80 -136.78 152.33 50.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 4.0 ptp -155.65 123.99 5.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -150.27 -177.45 24.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.4 t -114.17 140.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -81.9 -170.17 44.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -43.63 -43.03 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -89.52 157.94 17.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.422 ' HB ' HD13 ' A' ' 18' ' ' LEU . 14.0 m -86.26 -18.43 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 163' ' ' PRO . 18.0 m80 -90.45 12.18 19.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 17.8 p -114.41 113.92 25.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -127.01 128.96 47.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -135.48 144.85 46.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 9.6 p90 -138.36 132.89 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 65.0 mt -96.67 133.56 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 6.7 ptm -126.85 163.76 22.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -100.03 114.29 27.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.489 HG21 ' CD ' ' A' ' 155' ' ' GLU . 29.2 p -100.74 -14.11 18.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.154 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -144.36 -151.28 5.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -67.7 -56.95 7.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.337 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.461 ' O ' ' CZ ' ' A' ' 154' ' ' PHE . 14.5 mt-30 -129.28 16.54 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 -81.64 146.74 29.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.461 ' CZ ' ' O ' ' A' ' 152' ' ' GLN . 3.2 m-85 -138.62 120.55 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.489 ' CD ' HG21 ' A' ' 149' ' ' THR . 70.0 mt-10 -107.01 123.85 48.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.4 t -101.95 111.37 23.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . 0.48 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 89.1 m-70 -106.4 125.83 51.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 23.3 t -102.1 145.4 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 48.3 m-85 -145.59 131.73 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.423 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 37.9 t-105 -80.46 115.62 20.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 69.5 m -89.91 163.01 15.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.561 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 30.3 mt-10 -156.53 140.89 11.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.667 0.746 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.561 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.8 Cg_endo -69.72 -0.04 5.93 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.319 -0.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.663 HD22 ' HB3' ' A' ' 166' ' ' ALA . 0.7 OUTLIER -175.16 176.39 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.94 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 166' ' ' ALA . . . -73.16 -34.3 65.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.663 ' HB3' HD22 ' A' ' 164' ' ' ASN . . . -36.53 -41.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -69.16 -61.16 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 169' ' ' SER . 60.0 t -64.22 -64.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 168' ' ' VAL . 91.3 p -36.88 -42.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -68.92 -48.87 62.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -56.12 -40.19 73.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.04 -49.26 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -58.1 -48.21 80.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -52.84 -49.53 65.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.707 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -52.61 -46.28 66.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.898 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -67.54 112.36 4.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.878 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -143.33 133.87 24.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.825 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.25 -119.09 6.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -124.85 148.07 48.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 t -65.52 -44.26 87.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.83 135.55 1.65 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.436 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 1.7 m-20 -117.62 118.68 32.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 110.835 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 8' ' ' ASP . . . 67.44 41.3 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.41 88.3 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.583 HG12 ' N ' ' A' ' 12' ' ' THR . 68.7 t -74.53 161.88 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.592 HG23 ' HG3' ' A' ' 15' ' ' GLU . 2.7 t -121.32 146.2 44.18 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 6.82 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -90.99 -29.73 17.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.592 ' HG3' HG23 ' A' ' 12' ' ' THR . 1.6 mt-10 -90.05 -38.05 13.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -38.25 -33.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 19' ' ' SER . 7.8 t60 -91.12 -66.14 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 166' ' ' ALA . 31.8 mt -40.48 -26.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' HIS . 68.6 m -62.59 -58.25 8.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -28.89 65.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 70.8 mmm -71.37 -42.41 68.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -78.54 -26.48 45.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -75.34 -62.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -112.13 -51.41 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.18 -155.27 16.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.487 ' CZ ' ' HG3' ' A' ' 173' ' ' GLN . 23.4 t80 -145.78 111.63 5.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.959 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -102.42 123.27 45.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 26.9 t-20 -56.5 127.5 72.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.665 0.745 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -47.58 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' TYR . 91.7 m -52.35 -55.26 22.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' THR . 39.3 t80 -37.07 -34.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -95.29 -60.91 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -85.72 130.7 34.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 88.1 t80 63.38 44.05 5.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -98.22 -53.85 3.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -124.54 111.55 15.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.61 173.64 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -144.5 148.26 34.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -154.28 174.93 14.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 t -88.25 157.8 18.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.0 -69.49 1.31 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.6 p -41.78 -55.46 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.901 0.381 . . . . 0.0 110.848 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 t -73.53 85.03 1.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 167.55 120.0 0.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 t -86.43 -45.64 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.824 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.6 t -148.84 171.15 16.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.14 164.87 23.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.8 t -88.79 99.25 12.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.932 0.396 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -111.67 134.14 53.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.6 -104.46 2.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.8 m 42.11 40.4 1.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.922 0.391 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 t -156.75 126.76 6.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.89 -74.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.529 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 150.26 67.8 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.3 p -97.98 147.39 33.0 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.558 0.694 . . . . 0.0 111.153 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 123.01 9.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -91.87 171.19 9.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.1 t -166.86 149.67 6.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.448 ' HG2' ' N ' ' A' ' 60' ' ' LEU . 1.2 pm0 -74.99 -33.16 61.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 60' ' ' LEU . 5.0 tt -95.29 126.81 40.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.623 HG13 ' HB2' ' A' ' 107' ' ' ALA . 99.8 t -146.1 135.95 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -95.74 122.89 39.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -118.41 113.68 21.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -112.08 130.99 55.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -81.02 106.1 12.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.468 HG11 ' SG ' ' A' ' 161' ' ' CYS . 14.9 m -132.28 164.77 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -101.25 149.2 24.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.549 ' CD2' HG11 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -96.76 129.6 44.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mp -98.19 -44.63 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.8 167.43 11.73 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.652 ' CG ' ' CE1' ' A' ' 157' ' ' HIS . 8.1 tmm? -88.19 146.3 25.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.584 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -134.87 126.77 18.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.603 0.715 . . . . 0.0 110.927 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.584 ' HD2' HD13 ' A' ' 72' ' ' LEU . 54.0 Cg_endo -69.76 131.18 20.7 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 m -117.37 -177.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -120.09 -20.68 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.7 mtt85 -125.28 139.92 34.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.641 0.734 . . . . 0.0 110.851 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 -21.4 33.4 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.65 2.233 . . . . 0.0 112.356 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 133' ' ' PHE . 27.0 m -141.52 165.71 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 118.46 128.58 3.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 83' ' ' LEU . 5.6 mmt -60.57 -61.65 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.763 0.316 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 80' ' ' MET . 36.6 t0 -36.42 -36.91 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.0 m -70.86 -47.21 60.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.194 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.516 HD21 ' O ' ' A' ' 135' ' ' GLY . 3.4 tp -62.57 -56.04 21.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -47.73 -25.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.49 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 26.9 t -71.99 -42.89 65.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.47 -40.11 95.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.422 ' O ' ' CG ' ' A' ' 91' ' ' MET . 64.3 mt -62.33 -53.75 43.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -65.4 -32.99 74.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.3 m-20 -56.53 -63.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.44 ' CD2' HD23 ' A' ' 72' ' ' LEU . 4.0 mm? -61.82 -33.04 73.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.422 ' CG ' ' O ' ' A' ' 87' ' ' ILE . 37.1 mmm -61.19 -28.26 69.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -90.8 -44.93 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.205 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -58.01 -48.1 81.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.0 m -115.28 179.48 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.1 p -107.84 169.49 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 38.0 tttm -61.91 -29.44 70.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -82.02 -47.64 12.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -40.41 -37.65 0.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.569 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 7.0 m0 -57.58 109.42 1.76 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.586 0.708 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 139.63 40.51 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.232 . . . . 0.0 112.333 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.425 ' HB3' ' CD ' ' A' ' 116' ' ' GLU . 57.7 m -67.35 136.27 54.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.7 m -147.76 159.68 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -107.15 128.54 54.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 19.3 tpp -95.87 131.78 41.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -106.76 129.23 54.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.707 ' O ' HG12 ' A' ' 106' ' ' VAL . 47.3 t -118.62 41.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.623 ' HB2' HG13 ' A' ' 61' ' ' VAL . . . -85.66 145.64 27.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.9 t70 45.11 48.8 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 45.54 35.02 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.3 m -121.5 139.48 53.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.6 t -105.14 120.27 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.831 HG23 HG13 ' A' ' 122' ' ' VAL . 22.3 m -134.93 108.39 7.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.165 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.557 HG12 HD12 ' A' ' 123' ' ' LEU . 58.5 t -71.5 96.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.1 mm -87.36 151.89 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.611 ' OG ' HD21 ' A' ' 123' ' ' LEU . 2.3 m -83.93 153.38 23.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.425 ' CD ' ' HB3' ' A' ' 101' ' ' SER . 16.0 mt-10 -80.03 -24.58 40.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -80.52 -38.41 29.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -129.56 129.72 44.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -77.72 -32.4 52.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -85.69 31.6 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -117.0 117.79 30.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.831 HG13 HG23 ' A' ' 112' ' ' THR . 55.0 t -103.02 72.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.611 HD21 ' OG ' ' A' ' 115' ' ' SER . 9.0 mt -42.95 -44.82 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.533 HG21 ' OH ' ' A' ' 68' ' ' TYR . 87.0 t -145.89 130.59 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -114.97 100.9 8.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.429 ' C ' ' HD3' ' A' ' 127' ' ' ARG . 8.0 t -118.62 143.28 46.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.464 ' NH1' ' CE1' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -119.19 142.47 47.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.831 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.455 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 16.0 m -55.47 -18.26 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -65.3 -54.13 33.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.464 ' CE1' ' NH1' ' A' ' 127' ' ' ARG . 9.1 m-85 -73.4 -30.3 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.648 HD13 ' HE1' ' A' ' 134' ' ' MET . 1.8 tt -42.78 127.65 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.52 ' N ' HD23 ' A' ' 131' ' ' LEU . 46.7 p -101.78 -57.78 2.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.575 ' HB2' HG12 ' A' ' 78' ' ' VAL . 11.7 t80 -130.74 156.73 44.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.648 ' HE1' HD13 ' A' ' 131' ' ' LEU . 5.6 ptp -161.88 118.61 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.516 ' O ' HD21 ' A' ' 83' ' ' LEU . . . -157.15 177.38 34.04 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.468 HG21 ' CD2' ' A' ' 18' ' ' LEU . 97.3 t -103.76 149.5 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 111.135 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -84.83 -160.55 32.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.95 -34.99 63.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -99.01 165.66 11.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 20.3 m -95.28 -2.18 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.534 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 35.0 m80 -105.08 14.79 28.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 22.7 p -125.5 106.59 9.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -118.0 128.11 54.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -136.85 150.99 48.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 14.5 p90 -141.27 138.84 33.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 63.3 mt -101.44 119.54 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 5.0 ptm -106.88 171.54 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -107.86 103.21 12.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 64.1 p -98.03 33.62 2.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 157.49 -154.1 25.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -70.56 -64.77 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -119.88 22.62 11.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -92.1 124.48 36.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -126.33 120.43 29.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -111.07 117.33 33.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.3 t -98.56 109.28 22.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . 0.652 ' CE1' ' CG ' ' A' ' 71' ' ' MET . 87.7 m-70 -102.87 131.95 49.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 27.9 t -105.68 144.95 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -141.76 140.79 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.534 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 40.5 t-105 -99.41 129.07 45.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.468 ' SG ' HG11 ' A' ' 66' ' ' VAL . 72.8 m -121.93 161.75 22.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.546 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 30.0 mt-10 -150.99 152.58 31.78 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.657 0.741 . . . . 0.0 110.934 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.9 Cg_endo -69.8 0.05 5.99 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.358 0.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.489 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 44.4 p-10 -168.53 171.85 8.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -100.0 21.57 12.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.124 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.563 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -69.25 -43.06 74.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -69.0 -65.2 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 89.1 t -45.36 -59.19 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 86.3 p -46.04 -41.95 12.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -69.91 -44.33 69.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -57.47 -43.85 84.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 175' ' ' ALA . 93.9 t -70.04 -48.68 61.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . 0.487 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 12.1 tt0 -59.94 -61.82 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.21 -36.49 13.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 172' ' ' VAL . . . -50.43 -42.59 54.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.894 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -136.18 158.66 43.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.884 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -108.83 125.59 52.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.76 160.92 23.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -133.82 151.3 51.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.368 . . . . 0.0 110.847 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 t -160.45 165.88 30.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.46 177.59 20.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -86.79 147.69 25.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.798 0.332 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.44 176.69 9.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.35 98.63 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.6 t -124.16 139.66 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.42 ' CG2' ' HG2' ' A' ' 15' ' ' GLU . 5.6 t -80.11 142.21 55.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.598 0.713 . . . . 0.0 111.139 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -3.39 11.89 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.734 2.29 . . . . 0.0 112.325 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -88.87 -23.02 22.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.559 ' OE2' HG11 ' A' ' 140' ' ' VAL . 35.9 mm-40 -88.97 -29.88 19.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -48.74 -45.19 39.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -86.66 -50.47 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 166' ' ' ALA . 18.5 mt -49.24 -27.23 3.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.8 t -55.88 -54.91 38.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -56.5 -36.45 69.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 mmt -63.41 -42.09 98.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -83.84 -0.14 49.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -91.34 -63.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -125.8 -44.56 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.2 -169.86 13.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -128.61 112.57 14.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.899 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -88.85 116.98 27.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -65.59 115.08 18.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -40.39 5.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.683 HG21 ' HD3' ' A' ' 129' ' ' ARG . 34.1 m -54.21 -19.9 5.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -77.73 -70.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -51.48 -29.33 16.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -78.81 155.02 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.556 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 88.2 t80 63.9 41.94 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -108.22 -57.74 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -110.52 44.78 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 61.3 mtp -102.91 43.57 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -96.44 43.65 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -53.26 -46.17 69.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.8 t -75.26 85.08 2.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.05 -117.19 1.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.0 t -152.62 130.02 11.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.867 0.365 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.5 m -42.8 147.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.26 48.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.5 t -120.55 156.77 30.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.7 m -50.65 174.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.92 -59.7 0.37 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.3 t -54.89 147.01 16.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.5 t -170.35 131.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -63.77 94.82 0.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.3 p -136.75 126.39 25.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.374 . . . . 0.0 110.862 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.2 t -107.92 168.24 9.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.5 178.61 48.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -177.81 2.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.376 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.7 p -117.49 137.43 24.13 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.606 0.717 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 152.06 68.91 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.0 162.09 14.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.1 p -137.11 145.47 43.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -72.31 -43.09 64.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 tp -86.07 118.42 25.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.794 HG23 ' HB2' ' A' ' 107' ' ' ALA . 7.5 p -159.37 144.7 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -124.21 130.41 52.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -112.19 117.43 32.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -111.37 152.9 26.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 48.0 ttp85 -101.46 118.03 36.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.1 m -146.15 177.62 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -117.02 151.87 35.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -97.22 129.04 44.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.954 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.444 HD22 HG11 ' A' ' 158' ' ' VAL . 2.6 mp -101.25 -38.43 8.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.27 163.94 11.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.453 ' HG2' ' N ' ' A' ' 72' ' ' LEU . 10.5 ttp -84.13 145.95 28.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.577 HD23 ' CD2' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -136.94 125.2 14.78 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.584 0.707 . . . . 0.0 110.951 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.57 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.7 Cg_endo -69.78 137.4 35.33 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 30.5 m -124.96 165.68 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -93.14 -28.65 16.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -127.23 142.12 42.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.701 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.14 36.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.646 2.23 . . . . 0.0 112.359 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.721 HG12 ' HB2' ' A' ' 133' ' ' PHE . 13.8 m -135.77 169.14 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 113.2 121.84 3.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.473 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.0 mmt -56.85 -54.76 42.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -45.51 -31.18 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.3 m -76.56 -43.88 37.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.39 -53.78 47.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -54.0 -26.14 24.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.8 t -66.98 -40.32 87.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.33 -60.89 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 34.4 mt -41.09 -48.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.1 -36.96 83.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -59.3 -47.42 85.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.577 ' CD2' HD23 ' A' ' 72' ' ' LEU . 2.0 mm? -76.75 -47.77 20.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.0 mtp -39.21 -48.1 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.5 t -75.78 -27.89 58.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 90' ' ' LEU . 70.1 m -63.85 -49.7 71.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.807 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 m -126.86 155.29 43.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.513 ' O ' ' CE2' ' A' ' 99' ' ' TRP . 79.4 p -82.3 -177.53 6.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.512 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 21.7 tttt -70.89 -26.36 63.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -89.82 -25.67 20.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.41 -30.51 71.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.513 ' CE2' ' O ' ' A' ' 95' ' ' SER . 4.7 m0 -70.43 113.35 17.54 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.549 0.69 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 138.48 37.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.9 p -64.59 137.15 57.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.802 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.5 m -145.72 147.6 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -97.71 121.56 39.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 52.9 ttm -88.95 133.86 34.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -110.77 142.9 42.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 106' ' ' VAL . 21.2 t -133.49 42.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.794 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -83.05 145.04 29.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 t0 43.0 53.61 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 42.63 39.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.569 HG23 ' HG2' ' A' ' 127' ' ' ARG . 20.9 m -123.55 137.12 54.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 47.3 t -103.78 113.14 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 62.2 m -128.23 110.29 12.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.8 t -75.9 99.73 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.8 mm -90.6 151.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -86.7 139.18 31.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -70.95 -24.4 62.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -26.49 61.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -159.76 114.72 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.67 -33.12 63.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 120' ' ' GLU . 17.6 mp0 -81.73 16.83 1.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -107.2 76.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.432 HG12 ' H ' ' A' ' 122' ' ' VAL . 1.8 p -74.05 96.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.2 mt -70.33 -48.25 57.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 59.4 t -135.13 134.05 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -124.03 95.67 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.96 171.57 8.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.569 ' HG2' HG23 ' A' ' 110' ' ' THR . 10.5 mtt-85 -131.4 -177.33 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.4 m -80.95 -37.75 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.683 ' HD3' HG21 ' A' ' 30' ' ' THR . 55.7 mmt-85 -62.75 -37.47 86.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -72.28 -37.81 68.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.687 HD23 ' N ' ' A' ' 132' ' ' SER . 2.2 tt -46.23 148.58 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.687 ' N ' HD23 ' A' ' 131' ' ' LEU . 96.4 p -111.79 -62.75 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.721 ' HB2' HG12 ' A' ' 78' ' ' VAL . 58.1 t80 -134.91 140.44 45.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.489 ' HE1' HD22 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -131.44 134.19 45.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -166.08 170.2 40.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.525 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 90.3 t -111.07 140.94 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.383 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -72.97 -168.2 12.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -52.65 -39.85 62.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -91.13 158.05 16.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.559 HG11 ' OE2' ' A' ' 15' ' ' GLU . 27.3 m -87.52 0.33 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 31.2 m80 -109.18 13.67 24.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 18.1 p -121.58 105.85 10.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -115.78 131.0 57.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -135.22 149.42 49.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.532 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 10.5 p90 -145.35 134.42 22.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 28.8 mt -100.37 127.61 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 11.1 ptm -116.14 157.54 24.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -99.0 104.88 16.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 51.2 p -85.65 -48.07 9.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -113.38 -141.8 8.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -79.19 -68.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.32 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -113.55 27.77 9.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -97.5 136.81 37.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -131.65 122.86 26.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -117.08 119.74 36.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.7 t -98.14 115.87 29.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 92.0 m-70 -102.76 126.76 50.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.444 HG11 HD22 ' A' ' 69' ' ' LEU . 19.9 t -100.02 144.57 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 45.0 m-85 -148.23 129.81 14.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 31.6 t-105 -88.23 126.06 34.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.448 ' SG ' HG21 ' A' ' 168' ' ' VAL . 85.6 m -116.35 148.69 40.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.541 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 16.5 mt-10 -140.41 152.06 65.66 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.0 Cg_endo -69.73 0.19 5.84 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.372 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.488 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 26.6 p30 -173.22 169.8 4.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -96.59 33.06 1.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.452 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -80.6 -36.55 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -81.17 -52.58 7.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.448 HG21 ' SG ' ' A' ' 161' ' ' CYS . 53.8 t -50.97 -65.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 2.2 m -43.37 -48.11 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -57.07 -49.22 76.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -55.85 -37.9 69.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 92.9 t -71.96 -50.33 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -54.33 -63.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -45.98 -43.77 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.061 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -52.01 -39.71 59.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 79.8 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -169.37 119.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.935 0.398 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 m -114.59 110.61 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.92 -148.17 8.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -109.29 153.04 24.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -59.61 163.71 4.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.17 43.52 1.88 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -174.85 150.73 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.29 179.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 51.51 47.47 24.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 p -81.63 134.25 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.479 ' CG2' ' HG2' ' A' ' 15' ' ' GLU . 15.1 t -76.49 140.68 68.64 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.616 0.722 . . . . 0.0 111.1 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 3.72 2.61 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.385 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -93.7 -24.77 17.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.479 ' HG2' ' CG2' ' A' ' 12' ' ' THR . 15.7 mm-40 -88.85 -33.68 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -61.95 -38.25 87.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -79.29 -39.16 33.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.41 -34.26 74.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.2 p -60.82 -53.13 61.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 21' ' ' MET . 13.1 ptpt -59.61 -38.9 82.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.452 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 4.5 mtp -62.91 -44.13 96.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -70.23 -5.73 29.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -99.09 -57.24 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -107.47 -61.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.16 -150.39 17.9 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.514 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.481 ' CE2' ' HG3' ' A' ' 173' ' ' GLN . 24.3 t80 -148.49 109.8 4.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.934 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -101.79 109.83 21.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -56.51 119.21 26.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -42.76 3.11 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.301 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.612 HG23 ' HG3' ' A' ' 35' ' ' GLU . 60.7 m -41.38 -31.26 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -73.45 -61.89 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.506 ' CD ' ' CD2' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -65.44 -7.38 13.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' CD2' ' CD ' ' A' ' 32' ' ' LYS . 14.0 m-85 -107.41 165.84 11.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -107.35 72.39 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.612 ' HG3' HG23 ' A' ' 30' ' ' THR . 10.3 pt-20 -126.3 -4.4 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -76.33 -37.77 56.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.453 ' N ' ' SD ' ' A' ' 37' ' ' MET . 3.4 mpp? -93.44 178.91 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -119.24 149.89 41.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.44 ' C ' ' OD1' ' A' ' 39' ' ' ASN . 13.6 t-20 -134.51 105.29 6.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t -126.72 104.08 7.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.12 -71.06 0.73 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 m -87.99 143.8 26.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.366 . . . . 0.0 110.885 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.5 p -130.6 168.37 17.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.46 87.58 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.8 p -101.06 168.57 9.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.849 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.3 t -63.56 105.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.65 148.4 6.48 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.45 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.5 p -94.18 113.41 25.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 0.0 110.826 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.1 m -158.16 151.22 22.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -122.04 77.25 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.9 p -129.33 107.76 9.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.0 p -72.12 -53.38 12.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.77 146.9 21.78 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' THR . 53.3 Cg_endo -69.78 106.69 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.295 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' PRO . 17.4 p -37.61 143.03 0.39 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.713 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 99.91 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.19 164.7 1.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.2 p -124.36 123.77 40.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -53.13 -25.75 14.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.457 HD23 ' C ' ' A' ' 60' ' ' LEU . 2.9 tt -67.12 132.48 47.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.025 HG23 ' HB2' ' A' ' 107' ' ' ALA . 7.2 p -157.8 120.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 106' ' ' VAL . 21.1 mt-30 -106.76 119.05 38.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.25 150.87 42.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -136.75 177.75 7.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -112.96 106.73 15.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.3 m -131.85 171.58 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -112.46 156.95 21.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.51 129.56 45.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.426 HD22 HG11 ' A' ' 158' ' ' VAL . 2.9 mp -94.47 -56.4 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 147.96 152.21 5.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.443 ' HG3' ' CE1' ' A' ' 157' ' ' HIS . 16.9 ttp -76.02 138.77 41.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.718 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -133.49 125.63 18.73 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.618 0.723 . . . . 0.0 110.917 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.718 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -69.77 133.12 24.77 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.662 2.241 . . . . 0.0 112.375 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.3 m -119.01 173.71 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -104.43 -26.29 12.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -130.31 148.67 70.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.612 0.72 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -22.78 31.46 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.679 2.252 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.856 HG12 ' HB2' ' A' ' 133' ' ' PHE . 11.2 m -136.21 172.62 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 114.69 118.51 3.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.3 mmt -54.27 -51.12 65.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -50.77 -25.03 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.7 m -85.44 -44.32 12.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.75 -55.87 17.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -54.13 -28.02 37.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.96 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.491 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 7.2 t -64.43 -43.95 92.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.54 -47.02 71.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 65.4 mt -50.62 -54.19 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -65.79 -33.06 74.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.547 ' O ' HG22 ' A' ' 92' ' ' THR . 20.3 m-20 -58.9 -51.57 69.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.55 HD22 HD23 ' A' ' 72' ' ' LEU . 1.4 mm? -73.02 -43.47 62.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 55.0 mtp -47.89 -40.46 21.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 89' ' ' ASN . 5.0 t -82.86 -22.61 34.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 28.0 t -74.04 -31.76 63.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -137.41 177.56 7.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.587 ' O ' ' CD1' ' A' ' 99' ' ' TRP . 70.6 m -102.0 166.5 10.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.825 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.54 ' HA ' ' CE3' ' A' ' 99' ' ' TRP . 55.3 tttm -67.32 -37.14 82.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -82.95 -24.97 32.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -69.48 -28.78 66.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 95' ' ' SER . 22.6 m0 -57.73 121.23 47.86 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.545 0.688 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 141.12 44.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.63 2.22 . . . . 0.0 112.378 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.7 m -75.39 140.42 42.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.6 m -150.81 144.62 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.161 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -92.76 130.02 38.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 24.1 tpp -96.53 146.2 25.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -117.82 133.36 56.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.651 ' O ' HG12 ' A' ' 106' ' ' VAL . 40.3 t -125.52 44.24 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 1.025 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -90.1 148.84 22.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.9 t70 42.31 51.34 4.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.693 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 43.75 38.94 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.7 m -123.75 136.33 54.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 63.6 t -103.82 114.27 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.631 ' CG2' HG23 ' A' ' 122' ' ' VAL . 18.4 m -129.08 118.26 22.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.3 t -81.0 96.66 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.403 HG23 ' O ' ' A' ' 119' ' ' GLU . 7.9 mm -87.29 143.34 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -78.04 160.5 28.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -81.09 -42.26 21.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -74.62 -35.54 62.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -125.75 128.47 47.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 114' ' ' ILE . 19.9 tt0 -85.17 -38.44 19.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -87.71 29.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.402 ' C ' HG12 ' A' ' 122' ' ' VAL . 6.5 tp10 -89.28 -33.53 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 122' ' ' VAL . 7.1 p 40.7 48.73 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 122' ' ' VAL . 12.7 mt -34.65 -45.19 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 98.4 t -139.91 138.55 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -128.01 98.47 5.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.4 t -117.59 151.5 37.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -116.99 167.51 11.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 109' ' ' ALA . 18.4 m -76.56 -35.36 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 130' ' ' PHE . 1.4 ppt_? -69.21 -7.14 33.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 129' ' ' ARG . 3.7 m-85 -110.23 -27.1 9.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 134' ' ' MET . 1.8 tt -53.89 133.95 42.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.3 m -98.67 -63.6 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.856 ' HB2' HG12 ' A' ' 78' ' ' VAL . 28.6 t80 -133.03 151.71 52.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.572 ' HB3' HD21 ' A' ' 131' ' ' LEU . 4.9 ptp -158.81 120.14 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -143.01 -161.53 8.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.5 t -123.94 140.98 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -82.49 -175.34 50.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -47.67 -34.81 8.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -98.31 148.39 23.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 165' ' ' ALA . 25.4 m -76.24 -7.14 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -104.36 12.97 32.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.1 p -116.41 112.63 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -124.23 132.18 53.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -137.85 142.26 40.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.069 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -138.26 141.23 39.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 20.6 mt -105.95 129.71 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.2 ptm -114.38 165.82 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -108.68 108.62 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 63.2 p -85.56 -43.52 13.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 144.77 153.96 6.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 71.53 44.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 51.57 30.01 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -101.58 135.73 42.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -129.41 124.5 34.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.416 ' CD ' ' SD ' ' A' ' 71' ' ' MET . 15.4 mm-40 -106.86 141.03 38.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 3.4 t -111.27 110.45 20.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . 0.443 ' CE1' ' HG3' ' A' ' 71' ' ' MET . 90.0 m-70 -105.4 126.49 52.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.426 HG11 HD22 ' A' ' 69' ' ' LEU . 14.7 t -105.96 151.09 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.154 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 49.8 m-85 -149.39 140.77 23.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.527 ' CE2' ' HE2' ' A' ' 96' ' ' LYS . 46.9 t-105 -90.44 117.19 28.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.481 ' SG ' HG21 ' A' ' 168' ' ' VAL . 79.6 m -104.01 155.34 18.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.547 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 82.2 mt-10 -154.74 151.43 23.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.671 0.748 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.72 -0.69 6.23 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.328 0.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.471 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 50.8 p30 -167.45 173.25 8.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -86.49 -12.68 48.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -47.98 -41.8 26.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.52 -57.95 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.481 HG21 ' SG ' ' A' ' 161' ' ' CYS . 83.8 t -61.31 -68.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 168' ' ' VAL . 35.3 p -35.12 -35.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 168' ' ' VAL . 25.3 tt0 -77.28 -57.6 3.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -46.18 -38.4 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 88.1 t -71.29 -54.34 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.143 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . 0.481 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 3.3 tt0 -51.92 -57.32 9.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -50.43 -36.13 31.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.693 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -64.91 -41.95 95.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 94.4 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 m -68.99 105.96 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.876 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -112.3 177.87 4.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.19 82.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -98.13 172.58 7.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.351 . . . . 0.0 110.848 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m -147.49 164.22 34.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.49 89.47 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -167.04 124.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.349 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.02 85.94 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.3 113.88 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.078 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.4 t -109.08 150.64 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 t -94.5 142.67 25.12 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.575 0.702 . . . . 0.0 111.141 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -7.02 19.98 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.61 -23.39 37.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 16' ' ' ARG . 5.7 mm-40 -92.1 -59.75 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 15' ' ' GLU . 41.6 mtp180 -35.85 -42.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -71.37 -47.33 56.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.527 ' CD2' HG21 ' A' ' 136' ' ' VAL . 17.7 mt -62.61 -24.87 67.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.0 m -65.57 -56.06 14.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 21' ' ' MET . 3.7 ptmm? -56.39 -34.16 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.466 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 12.0 mtp -67.17 -40.69 86.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -70.18 -35.77 74.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -62.44 -64.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -111.42 -57.24 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.03 -165.69 12.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.439 ' CD1' ' HE3' ' A' ' 134' ' ' MET . 18.9 t80 -119.16 100.45 7.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 0.0 110.882 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.512 ' HG3' ' CD1' ' A' ' 133' ' ' PHE . 30.8 mp0 -94.24 115.77 28.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 18.5 t-20 -60.74 114.18 9.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.568 0.699 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 -28.09 25.32 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.9 m -63.95 -41.63 97.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -48.23 -62.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -41.81 -47.02 4.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -71.03 -33.06 69.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.431 ' O ' ' C ' ' A' ' 35' ' ' GLU . 10.1 t80 -65.16 -41.76 94.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' PHE . 18.7 mt-10 -35.86 -59.69 0.57 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -128.07 93.7 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 70.8 mtp -95.49 174.29 7.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -84.89 82.97 8.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -62.64 104.44 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.7 p -108.66 122.32 46.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.01 152.23 23.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.3 p -101.02 -51.42 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.9 m -161.4 133.04 5.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.4 82.74 0.87 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 85.7 p -153.86 132.34 12.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.912 0.386 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.5 m -119.6 148.7 43.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.822 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.78 52.48 3.21 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 91.5 p -148.34 164.28 34.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.833 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.7 m -77.92 130.33 36.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.87 84.05 0.24 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.3 m -95.66 98.23 10.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.851 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -81.06 113.41 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.16 162.5 11.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -174.93 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.7 p -72.62 147.45 89.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.589 0.709 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 136.51 33.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.652 2.235 . . . . 0.0 112.33 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -38.42 145.14 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.6 m -146.91 137.27 23.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -121.24 -63.67 1.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.8 tp -71.92 129.39 38.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.458 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.4 p -154.61 141.1 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -116.02 138.91 50.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -121.26 115.32 22.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -106.86 133.43 51.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -83.0 101.25 10.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.0 m -127.97 171.61 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -113.21 152.62 29.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -99.08 128.95 45.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.476 HD22 HG11 ' A' ' 158' ' ' VAL . 2.7 mp -99.49 -44.57 6.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 134.91 170.41 12.18 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 72' ' ' LEU . 12.9 tmm? -92.01 141.79 28.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.593 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -133.31 127.02 19.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.907 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.593 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.9 Cg_endo -69.75 128.81 16.57 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.7 m -114.93 172.6 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -96.15 -28.14 14.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -135.48 149.25 68.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.631 0.729 . . . . 0.0 110.847 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -22.97 31.53 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.732 2.288 . . . . 0.0 112.345 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.597 HG12 ' HB2' ' A' ' 133' ' ' PHE . 14.5 m -130.1 170.51 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.23 102.2 2.6 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 83' ' ' LEU . 1.6 mmt -42.02 -61.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 80' ' ' MET . 2.9 m-20 -37.11 -42.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.6 m -66.38 -45.09 81.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 80' ' ' MET . 2.0 tp -59.25 -51.97 67.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -50.27 -32.27 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.42 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 10.4 t -62.71 -43.93 97.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.72 -54.49 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.062 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.435 ' CG2' HG21 ' A' ' 142' ' ' THR . 56.7 mt -46.37 -56.02 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.44 -45.34 93.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 85' ' ' SER . 24.0 m-20 -45.82 -58.53 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 72' ' ' LEU . 4.3 mm? -66.41 -51.17 59.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 68.6 mtp -42.49 -40.19 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.2 p -77.05 -42.73 37.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.155 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -58.91 -52.5 65.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.3 m -118.31 157.17 27.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 m -86.46 162.21 18.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.518 ' HA ' ' CD2' ' A' ' 99' ' ' TRP . 23.4 tttm -54.26 -41.96 69.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -73.91 -33.05 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.86 -28.63 64.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.518 ' CD2' ' HA ' ' A' ' 96' ' ' LYS . 6.8 m0 -67.85 120.47 74.03 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.585 0.707 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 153.45 69.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.364 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.6 p -82.37 130.34 35.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 29.8 m -141.44 148.82 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -97.32 138.07 35.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 50.4 ttm -105.17 130.98 53.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.459 ' ND2' HG13 ' A' ' 114' ' ' ILE . 12.3 m-20 -104.33 135.1 46.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 t -124.61 38.19 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.458 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -85.35 151.16 24.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.4 t70 44.08 47.57 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.538 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 44.82 35.12 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.467 HG23 ' HD3' ' A' ' 127' ' ' ARG . 62.7 m -121.18 144.54 48.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.5 t -110.93 113.5 44.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.946 ' CG2' HG13 ' A' ' 122' ' ' VAL . 31.6 m -128.05 111.25 13.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.543 HG12 HD12 ' A' ' 123' ' ' LEU . 62.8 t -68.85 92.17 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.459 HG13 ' ND2' ' A' ' 105' ' ' ASN . 19.2 mm -82.59 139.91 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.448 ' CB ' ' HG2' ' A' ' 121' ' ' GLU . 1.2 t -78.49 147.58 33.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' CD ' ' O ' ' A' ' 116' ' ' GLU . 0.6 OUTLIER -73.05 -17.1 61.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -73.01 -25.79 61.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -164.38 149.61 10.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -75.5 -45.06 40.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -64.79 -15.24 61.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.448 ' HG2' ' CB ' ' A' ' 115' ' ' SER . 7.8 tp10 -70.72 104.05 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.946 HG13 ' CG2' ' A' ' 112' ' ' THR . 89.1 t -102.6 87.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.543 HD12 HG12 ' A' ' 113' ' ' VAL . 13.0 mt -58.61 -46.75 86.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 57.9 t -141.05 139.62 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -125.61 101.16 6.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.2 t -117.37 146.42 43.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.467 ' HD3' HG23 ' A' ' 110' ' ' THR . 5.6 mmt85 -117.63 144.81 44.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.462 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 8.2 m -51.73 -20.02 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 18.6 mmt-85 -74.35 -34.86 63.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -86.44 -25.63 25.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.636 HD21 ' HB3' ' A' ' 134' ' ' MET . 3.1 tt -56.79 126.81 28.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.2 p -98.38 -59.65 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.597 ' HB2' HG12 ' A' ' 78' ' ' VAL . 12.8 t80 -133.38 151.77 51.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.636 ' HB3' HD21 ' A' ' 131' ' ' LEU . 4.2 ptp -159.04 118.96 3.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -150.43 -172.99 20.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.527 HG21 ' CD2' ' A' ' 18' ' ' LEU . 67.2 t -114.64 138.62 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 111.18 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -82.0 -169.57 43.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -41.93 -53.13 3.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.75 0.31 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.46 160.55 26.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.435 ' CG1' HD13 ' A' ' 18' ' ' LEU . 31.6 m -92.07 -4.38 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.516 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 32.3 m80 -106.49 19.24 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.435 HG21 ' CG2' ' A' ' 87' ' ' ILE . 7.9 p -123.84 105.14 9.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -116.33 128.34 55.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -132.0 148.27 52.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 12.8 p90 -142.69 129.84 20.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 16.9 mt -97.71 131.88 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 4.9 ptm -120.79 166.27 13.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.91 115.11 29.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 30.1 p -107.19 39.18 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 69.35 158.73 1.84 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 152' ' ' GLN . 6.9 t-20 62.13 47.18 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.321 . . . . 0.0 110.89 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 151' ' ' ASN . 3.6 pt20 37.71 33.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -89.22 150.34 22.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -132.9 118.65 19.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -109.77 114.31 27.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 2.6 t -92.84 107.97 19.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 94.2 m-70 -102.95 128.05 49.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.476 HG11 HD22 ' A' ' 69' ' ' LEU . 38.9 t -103.02 142.9 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 35.4 m-85 -144.45 133.1 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.516 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 24.1 t-105 -84.96 124.81 32.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.499 ' SG ' HG21 ' A' ' 168' ' ' VAL . 69.7 m -107.61 162.56 13.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.548 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 23.4 mt-10 -159.37 150.11 15.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.641 0.734 . . . . 0.0 110.909 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.6 Cg_endo -69.76 1.25 5.4 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.325 0.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.582 ' ND2' ' HB3' ' A' ' 166' ' ' ALA . 36.6 p-10 -174.51 158.48 2.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -64.74 -30.17 71.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.582 ' HB3' ' ND2' ' A' ' 164' ' ' ASN . . . -40.56 -35.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -69.45 -65.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.499 HG21 ' SG ' ' A' ' 161' ' ' CYS . 86.3 t -57.35 -64.15 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 168' ' ' VAL . 95.1 p -36.74 -47.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -61.32 -54.72 40.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.11 -39.16 59.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 46.6 t -68.11 -54.36 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -41.58 -56.14 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -54.59 -45.76 73.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.538 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -50.78 -44.85 58.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 98.5 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.922 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -160.66 167.77 26.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.877 0.37 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -38.49 145.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.65 43.6 3.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 m -111.83 152.01 28.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 m -129.55 125.45 36.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.14 -68.78 0.2 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -54.0 160.91 1.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.63 159.73 25.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.41 126.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.087 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.5 HG13 ' CD ' ' A' ' 15' ' ' GLU . 17.3 t -68.6 140.98 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.168 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -86.38 144.75 38.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.562 0.696 . . . . 0.0 111.132 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 0.2 5.99 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.648 2.232 . . . . 0.0 112.385 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.16 -43.75 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.5 ' CD ' HG13 ' A' ' 11' ' ' VAL . 6.0 pt-20 -65.73 -37.08 85.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.444 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 29.8 mmm-85 -40.2 -44.61 1.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 19' ' ' SER . 1.4 t60 -79.67 -52.47 7.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.712 HD13 ' HB ' ' A' ' 140' ' ' VAL . 16.0 mt -37.63 -27.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 17' ' ' HIS . 12.5 t -57.87 -68.48 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -46.86 -27.41 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.43 ' HG3' ' NE2' ' A' ' 17' ' ' HIS . 75.9 mmm -75.94 -40.37 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -73.57 -18.95 61.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -89.68 -48.06 7.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.85 -63.21 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.96 -144.44 18.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' A' ' 173' ' ' GLN . 19.4 t80 -157.3 111.39 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 110.939 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -98.5 105.66 17.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.416 ' HA ' ' HD2' ' A' ' 29' ' ' PRO . 42.3 t-20 -61.9 110.92 3.67 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.471 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 54.4 Cg_endo -69.74 -28.75 24.99 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.628 2.219 . . . . 0.0 112.385 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -59.43 -26.71 65.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -77.04 -61.14 2.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -16.64 8.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.471 ' CD2' ' O ' ' A' ' 29' ' ' PRO . 3.0 m-85 -76.57 166.96 22.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -67.63 -39.54 84.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -39.18 -40.55 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.45 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 9.4 tm0? -67.1 73.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.7 mmt -132.64 151.3 51.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pm0 -165.85 151.41 8.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -136.16 152.03 50.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 m -126.35 178.6 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.24 42.34 96.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.546 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.0 m -43.86 -46.95 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 110.87 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.3 t -90.59 -57.07 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 133.44 -139.32 10.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.47 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.4 m 50.55 41.61 25.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.946 0.403 . . . . 0.0 110.851 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.8 t 48.48 42.39 18.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.34 94.52 0.45 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.4 m -67.52 163.15 21.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.7 t -96.18 127.62 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.822 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 158.15 47.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.47 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.2 m -75.31 166.71 23.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 110.854 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.9 m -48.36 124.0 7.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.93 137.96 8.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 169.06 19.72 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 2.249 . . . . 0.0 112.358 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 46.5 p -67.08 145.16 98.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.606 0.717 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 153.24 69.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -75.18 119.46 19.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.572 HG21 ' HB1' ' A' ' 107' ' ' ALA . 13.5 t -151.32 141.38 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -77.87 -52.6 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 61' ' ' VAL . 2.2 tt -71.99 136.82 46.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.107 HG23 ' HB2' ' A' ' 107' ' ' ALA . 12.7 p -166.09 134.51 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -130.3 139.91 50.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.21 120.41 35.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.402 ' HE2' HG21 ' A' ' 106' ' ' VAL . 91.5 m-85 -113.02 153.05 28.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -100.28 109.59 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.6 m -137.97 167.07 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -106.65 158.29 17.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -101.36 128.97 47.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.595 HD13 HG12 ' A' ' 158' ' ' VAL . 3.1 mp -97.78 -49.46 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.06 164.32 9.84 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.44 ' HG2' ' N ' ' A' ' 72' ' ' LEU . 19.4 ttp -83.82 148.8 26.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.659 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -139.37 128.17 13.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.587 0.708 . . . . 0.0 110.967 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.659 ' HD2' HD13 ' A' ' 72' ' ' LEU . 54.2 Cg_endo -69.72 130.71 19.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.4 m -119.56 179.18 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -116.7 -22.3 8.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 74.3 mmt-85 -130.28 143.55 49.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.622 0.725 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -23.0 31.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.388 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.92 HG12 ' HB2' ' A' ' 133' ' ' PHE . 35.4 m -139.61 167.88 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.45 110.15 2.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.6 mmt -40.56 -57.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -38.69 -44.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.2 m -66.75 -49.97 64.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.487 HD11 ' O ' ' A' ' 144' ' ' ALA . 4.3 tp -56.82 -51.93 67.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -62.57 -23.58 67.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.5 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 32.3 t -71.11 -42.85 68.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.2 -49.79 58.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.5 mt -50.89 -55.97 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -60.49 -35.69 76.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 85' ' ' SER . 21.5 m-20 -58.9 -56.34 23.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 90' ' ' LEU . 1.6 mm? -70.56 -29.04 65.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.5 mtp -64.37 -34.83 79.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 89' ' ' ASN . 4.0 t -91.69 -20.13 21.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.141 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.3 m -69.24 -52.83 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.8 m -119.0 -179.01 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.4 m -96.2 170.43 9.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.532 ' HA ' ' CZ3' ' A' ' 99' ' ' TRP . 72.2 tttt -64.54 -36.82 85.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -80.94 -36.17 31.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -49.5 -25.06 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.532 ' CZ3' ' HA ' ' A' ' 96' ' ' LYS . 7.9 m0 -73.82 115.66 44.36 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.533 0.682 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 145.5 57.24 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.6 m -71.33 142.32 50.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 30.9 m -152.29 143.54 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -93.23 126.57 38.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.549 ' SD ' HG22 ' A' ' 113' ' ' VAL . 24.0 tpp -96.1 136.71 36.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -110.57 147.85 33.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.604 ' O ' HG12 ' A' ' 106' ' ' VAL . 18.0 t -133.86 27.57 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 1.107 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -70.66 143.9 51.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.6 t70 46.14 48.69 12.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.521 ' HA ' ' HB1' ' A' ' 175' ' ' ALA . . . 44.53 36.87 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.599 HG23 ' HG2' ' A' ' 127' ' ' ARG . 98.3 m -120.93 141.47 50.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.1 t -103.47 118.84 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.9 m -133.65 103.08 5.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.549 HG22 ' SD ' ' A' ' 104' ' ' MET . 87.3 t -71.37 93.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.3 mm -83.25 154.14 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 9.2 t -77.55 165.58 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.42 -34.33 15.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -67.3 -33.41 75.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -140.71 162.41 35.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -101.36 -12.55 18.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -103.42 19.11 20.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -106.74 78.32 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.49 103.79 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.11 -43.88 32.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 80.4 t -137.26 126.54 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -114.32 94.22 4.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.8 t -121.44 155.17 35.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.599 ' HG2' HG23 ' A' ' 110' ' ' THR . 38.5 mtt180 -127.77 173.07 10.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 109' ' ' ALA . 17.7 m -73.3 -20.42 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -74.36 -21.9 59.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -103.78 -19.91 14.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.531 HD22 ' HE2' ' A' ' 134' ' ' MET . 2.4 tt -66.24 125.75 26.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.425 ' N ' HD23 ' A' ' 131' ' ' LEU . 8.0 m -97.6 -63.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.92 ' HB2' HG12 ' A' ' 78' ' ' VAL . 13.6 t80 -125.9 152.68 45.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.531 ' HE2' HD22 ' A' ' 131' ' ' LEU . 2.5 ptt? -158.82 107.89 1.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.412 ' O ' HD21 ' A' ' 83' ' ' LEU . . . -135.55 -174.07 13.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.468 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.3 t -121.71 134.01 66.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 111.094 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -68.53 -169.63 5.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -49.29 -44.9 44.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -87.29 153.89 21.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.847 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.712 ' HB ' HD13 ' A' ' 18' ' ' LEU . 13.1 m -85.97 8.26 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.525 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 7.4 m80 -113.05 14.07 19.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 3.5 p -122.57 109.37 14.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -121.35 129.42 53.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.487 ' O ' HD11 ' A' ' 83' ' ' LEU . . . -139.05 148.15 42.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 10.7 p90 -140.9 137.02 32.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.4 mt -101.0 123.63 54.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.6 ptm -115.48 169.05 9.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -109.74 125.12 52.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 59.8 p -104.01 -39.77 6.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -125.93 -138.27 4.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -75.96 -66.37 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -118.09 15.92 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -88.25 129.2 35.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -128.38 133.48 48.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -113.7 117.16 30.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.22 110.98 22.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -106.1 133.09 51.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.595 HG12 HD13 ' A' ' 69' ' ' LEU . 58.6 t -112.77 144.05 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -144.64 139.7 28.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.525 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 16.5 t-105 -92.66 120.17 32.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 34.5 m -105.35 157.53 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.545 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 35.3 mt-10 -151.59 150.53 26.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.729 . . . . 0.0 110.89 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.4 Cg_endo -69.71 0.5 5.68 Favored 'Cis proline' 0 C--N 1.34 0.129 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.331 -0.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.482 ' N ' ' HA ' ' A' ' 162' ' ' GLU . 32.4 p30 -164.69 179.04 6.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.522 ' C ' HD21 ' A' ' 18' ' ' LEU . . . -103.58 29.17 5.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -83.2 -60.01 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -54.23 -24.18 17.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 88.9 t -86.18 -62.86 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 79.9 p -53.37 -32.16 48.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -76.4 -50.91 12.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.26 89.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.13 -38.64 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . 0.436 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 29.9 tt0 -59.57 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.85 -43.2 38.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.521 ' HB1' ' HA ' ' A' ' 109' ' ' ALA . . . -44.36 -50.85 8.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.081 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 79.9 m . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.887 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -145.67 144.59 30.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 p -97.99 108.43 21.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.19 125.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 p -83.53 99.84 10.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.36 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 t -146.59 162.43 38.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.48 -71.03 0.38 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 66.23 49.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.97 154.45 49.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 51.52 44.03 29.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.046 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.2 p -77.22 141.72 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 t -78.54 141.92 61.36 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.554 0.692 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -0.32 6.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.357 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -89.23 -28.1 20.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -84.49 -30.17 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -50.78 -50.31 56.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -73.38 -49.82 25.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.785 HD11 ' HB2' ' A' ' 166' ' ' ALA . 16.6 mt -51.69 -22.21 3.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.1 m -63.79 -39.81 95.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' CG ' ' N ' ' A' ' 21' ' ' MET . 0.1 OUTLIER -69.62 -42.03 74.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.403 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 24.0 mmm -61.32 -30.83 70.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -82.9 -27.46 30.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -75.85 -68.55 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -102.86 -64.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.63 -146.24 17.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -147.5 117.41 7.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 110.949 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -102.64 107.76 18.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -64.57 111.33 5.44 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.667 0.746 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.438 ' O ' ' CG ' ' A' ' 32' ' ' LYS . 53.9 Cg_endo -69.68 -43.18 2.88 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.722 2.281 . . . . 0.0 112.365 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.2 m -45.7 -42.39 11.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -55.9 -33.26 64.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 29' ' ' PRO . 32.4 pttt -98.41 28.37 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -122.53 -34.99 3.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -99.24 -47.36 5.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -66.91 -43.5 83.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -114.13 97.12 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -154.94 178.03 10.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 39' ' ' ASN . 9.6 tp-100 -51.43 127.92 21.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 38' ' ' GLN . 12.3 m-20 -35.49 103.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.5 p -96.06 139.85 31.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.94 162.61 36.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.5 p -138.88 135.39 34.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 110.823 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 m -133.64 119.93 20.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.55 -47.38 2.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.51 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 t -114.15 -46.26 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.378 . . . . 0.0 110.866 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.0 p -169.42 139.3 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -126.46 150.75 17.84 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.5 t -154.41 155.78 35.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.839 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -141.75 148.97 39.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.826 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.42 96.98 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.8 p -122.9 168.73 11.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 m -128.22 170.88 12.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.817 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.38 130.9 10.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 147.69 63.68 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.677 2.251 . . . . 0.0 112.359 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.0 p -52.3 149.38 10.18 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.573 0.702 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 96.77 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -103.35 88.2 3.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 50.0 m -158.03 129.02 6.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -76.11 -52.75 9.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.34 117.85 9.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.696 HG23 ' HB2' ' A' ' 107' ' ' ALA . 2.7 p -151.32 136.4 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -105.06 131.93 51.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.79 123.05 42.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -115.04 153.23 31.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 65' ' ' ARG . 15.5 ttm105 -105.86 97.86 7.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 161' ' ' CYS . 27.5 m -124.17 160.93 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -99.36 154.02 18.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.48 128.78 45.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.973 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mp -93.71 -51.03 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 146.48 166.4 12.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.457 ' SD ' ' CD ' ' A' ' 155' ' ' GLU . 11.1 ttp -87.72 142.39 27.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.71 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -140.43 127.04 12.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.568 0.699 . . . . 0.0 110.944 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.71 ' HD2' HD13 ' A' ' 72' ' ' LEU . 53.4 Cg_endo -69.78 152.27 69.17 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.706 2.27 . . . . 0.0 112.334 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.467 HG13 ' HB2' ' A' ' 156' ' ' CYS . 28.8 m -136.51 174.25 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -111.39 -18.22 12.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -131.42 143.25 48.45 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 154' ' ' PHE . 53.5 Cg_endo -69.73 -23.74 30.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.622 2.215 . . . . 0.0 112.366 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.693 HG12 ' HB2' ' A' ' 133' ' ' PHE . 15.6 m -138.3 175.62 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.7 124.97 4.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.6 mmt -54.9 -62.4 1.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -42.51 -42.98 3.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.3 m -63.91 -39.46 94.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.45 -62.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -44.94 -30.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.496 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 16.7 t -56.74 -44.54 81.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.03 -50.43 62.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 71.6 mt -51.22 -56.6 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.53 -34.93 73.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 85' ' ' SER . 19.0 m-20 -60.02 -59.12 5.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 72' ' ' LEU . 1.9 mm? -66.22 -38.36 87.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.6 mtp -51.7 -47.77 63.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 89' ' ' ASN . 3.8 t -80.37 -18.85 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.0 t -69.29 -54.57 13.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.0 m -119.95 -177.66 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.415 ' O ' ' NE1' ' A' ' 99' ' ' TRP . 28.8 m -95.04 168.59 10.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.817 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.528 ' HA ' ' CH2' ' A' ' 99' ' ' TRP . 72.7 tttt -67.08 -33.43 75.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -87.07 -29.64 21.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -57.07 -23.51 47.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.535 ' CZ3' ' CE3' ' A' ' 160' ' ' TRP . 10.5 m0 -68.53 120.17 73.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.55 0.69 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 140.87 43.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.636 2.224 . . . . 0.0 112.325 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.1 m -72.49 137.93 46.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 66' ' ' VAL . 18.7 m -145.16 155.34 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -102.73 125.67 49.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 48.7 ttm -96.35 132.88 41.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -109.63 140.16 43.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.6 41.75 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.145 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.696 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -86.6 149.21 25.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.5 t0 47.61 42.6 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.491 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 48.59 30.26 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.6 m -118.0 144.54 45.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.8 t -101.56 129.4 52.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.531 HG23 HG13 ' A' ' 122' ' ' VAL . 9.7 m -143.94 106.63 4.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.578 HG12 HD12 ' A' ' 123' ' ' LEU . 49.0 t -76.29 93.6 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 9.2 mm -82.25 152.35 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.2 t -87.73 131.49 34.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.86 -42.45 84.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -59.59 -42.08 91.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -131.44 120.33 22.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -66.32 -33.55 75.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -87.89 37.11 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -127.09 101.87 6.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.531 HG13 HG23 ' A' ' 112' ' ' THR . 55.7 t -90.72 88.51 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.578 HD12 HG12 ' A' ' 113' ' ' VAL . 8.9 mt -56.44 -37.71 70.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 77.5 t -149.93 127.86 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.427 ' HB2' HG11 ' A' ' 122' ' ' VAL . 32.4 tt0 -113.12 103.25 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.07 149.99 48.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -113.46 176.15 5.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 109' ' ' ALA . 8.8 m -81.33 -19.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -78.38 -24.24 46.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -91.89 -24.5 19.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.675 HD22 ' HE2' ' A' ' 134' ' ' MET . 2.6 tt -58.33 126.75 28.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 78.4 p -96.81 -55.91 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.693 ' HB2' HG12 ' A' ' 78' ' ' VAL . 29.6 t80 -137.03 149.06 47.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.675 ' HE2' HD22 ' A' ' 131' ' ' LEU . 2.7 ptp -150.61 120.48 7.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -150.69 -170.8 18.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.5 t -120.1 143.98 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.362 . . . . 0.0 111.174 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -78.61 -169.59 36.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -50.38 -34.14 23.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.76 159.74 14.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 31.5 m -88.11 -1.45 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.448 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 22.9 m80 -106.88 9.66 30.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.01 109.22 15.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -122.49 132.58 54.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -137.57 149.18 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.452 ' C ' ' CD1' ' A' ' 145' ' ' PHE . 6.6 p90 -138.63 143.25 39.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 56.8 mt -105.77 128.02 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.9 ptm -118.86 161.49 20.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -98.98 108.27 20.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 81.9 p -83.17 -43.53 16.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -119.21 -145.3 7.6 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -72.24 -56.19 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.758 0.313 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -124.02 11.4 8.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -83.45 133.55 34.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.561 ' CE2' ' HD3' ' A' ' 77' ' ' PRO . 1.4 m-85 -123.36 122.07 37.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.457 ' CD ' ' SD ' ' A' ' 71' ' ' MET . 3.1 tp10 -105.35 124.08 48.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . 0.467 ' HB2' HG13 ' A' ' 74' ' ' VAL . 1.8 t -97.99 131.83 44.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . 0.517 ' HB3' ' CE1' ' A' ' 159' ' ' PHE . 72.0 m-70 -129.11 132.6 47.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 13.6 t -111.18 150.41 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' ' 157' ' ' HIS . 36.3 m-85 -150.84 144.48 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.535 ' CE3' ' CZ3' ' A' ' 99' ' ' TRP . 25.8 t-105 -95.15 121.85 37.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.497 ' HA ' HG12 ' A' ' 66' ' ' VAL . 28.0 m -102.98 159.91 15.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.547 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 50.1 mt-10 -157.12 148.05 16.48 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 53.4 Cg_endo -69.79 1.05 5.52 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.329 0.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.494 ' N ' ' OD1' ' A' ' 164' ' ' ASN . 5.1 p-10 -168.16 170.55 10.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -83.36 -13.32 55.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.07 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.785 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -51.34 -43.78 61.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.074 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -60.74 -58.6 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 169' ' ' SER . 74.1 t -65.49 -69.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 168' ' ' VAL . 66.3 p -35.32 -34.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 168' ' ' VAL . 7.2 tp10 -74.98 -52.44 11.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.58 -34.44 58.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . . . . . . . . . 92.5 t -72.63 -52.81 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -47.64 -46.25 28.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.16 94.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -52.63 -46.28 66.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.896 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 p -161.17 122.74 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.941 0.4 . . . . 0.0 110.831 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -97.97 132.35 43.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.71 104.92 3.21 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -87.9 131.85 34.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 110.894 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -100.68 -61.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.54 -80.17 0.36 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -44.8 164.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.97 35.37 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.76 50.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.428 ' HB ' ' NH2' ' A' ' 16' ' ' ARG . 86.9 t -43.45 137.1 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.406 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -88.45 146.86 38.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.564 0.697 . . . . 0.0 111.15 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -2.39 10.11 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.334 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -96.63 -21.52 17.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.6 -25.34 18.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.428 ' NH2' ' HB ' ' A' ' 11' ' ' VAL . 19.2 mmt180 -50.18 -40.41 46.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -82.2 -58.83 2.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.524 HD13 ' HB ' ' A' ' 140' ' ' VAL . 15.7 mt -45.6 -28.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -51.2 -49.97 59.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.8 pttt -47.32 -34.74 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.2 mtp -75.52 -41.31 55.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -70.13 -21.88 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -87.44 -53.99 4.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -114.54 -61.31 1.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.69 -151.86 17.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.552 ' CE2' ' HG2' ' A' ' 173' ' ' GLN . 1.2 t80 -141.01 114.25 8.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -104.09 107.91 19.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 128' ' ' VAL . 45.1 t-20 -72.78 113.19 19.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.605 0.717 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -44.53 1.98 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.649 2.232 . . . . 0.0 112.335 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.4 m -40.16 -42.7 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -48.37 -43.51 33.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -42.3 95.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -74.82 -27.05 60.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -65.21 -42.61 93.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -46.09 -58.27 3.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -85.23 91.71 8.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' GLN . 43.7 tpp -99.22 -25.67 14.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 37' ' ' MET . 1.0 OUTLIER 36.65 42.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -61.48 114.45 3.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 t 44.54 43.46 6.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.0 82.44 0.3 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -62.95 105.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.6 m 51.48 45.38 28.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.83 125.83 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.2 p -57.94 135.67 56.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.91 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.0 p -160.55 161.55 32.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.01 -92.94 0.21 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.4 t 52.37 39.5 27.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 110.883 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 m -86.25 166.47 15.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.19 -133.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.1 m -110.06 170.66 7.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.6 t -87.7 140.8 29.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.68 171.57 47.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -178.05 2.16 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.364 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.3 p -109.04 135.16 20.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.603 0.716 . . . . 0.0 111.121 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 176.09 7.24 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.258 . . . . 0.0 112.321 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 mtmm -78.72 148.27 33.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 60' ' ' LEU . 88.8 m -135.28 113.68 11.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.124 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -71.26 -51.01 26.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.503 ' O ' HG22 ' A' ' 58' ' ' THR . 16.9 tp -79.23 129.43 34.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.767 HG23 ' HB2' ' A' ' 107' ' ' ALA . 3.5 p -163.81 146.87 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -119.93 139.93 51.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -127.81 115.9 19.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -113.45 138.6 49.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -87.78 105.48 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.8 m -129.04 172.99 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -112.34 149.72 32.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -96.0 129.93 43.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.429 HD22 ' CG1' ' A' ' 158' ' ' VAL . 3.1 mp -98.35 -53.15 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 143.28 163.96 10.04 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.536 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.432 ' HB2' ' CE1' ' A' ' 157' ' ' HIS . 14.5 ttp -84.71 146.21 27.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.716 HD13 ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -137.53 128.28 15.92 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.917 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.716 ' HD2' HD13 ' A' ' 72' ' ' LEU . 54.5 Cg_endo -69.7 122.98 9.67 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.73 2.287 . . . . 0.0 112.349 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.7 m -109.51 168.29 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -100.32 -25.23 14.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -134.24 144.71 52.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.576 0.703 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -23.01 31.05 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.715 HG12 ' HB2' ' A' ' 133' ' ' PHE . 29.7 m -132.15 161.65 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 122.16 122.73 2.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.8 mmt -61.05 -45.22 95.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.779 0.323 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.45 -19.41 47.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.5 m -88.54 -37.92 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 tp -69.43 -55.58 9.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -50.0 -30.52 10.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.491 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 11.2 t -60.91 -37.37 82.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.66 -47.91 57.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.459 ' O ' ' CG ' ' A' ' 91' ' ' MET . 77.7 mt -53.05 -56.42 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -59.73 -33.23 71.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 85' ' ' SER . 18.1 m-20 -60.59 -70.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.589 ' CD2' HD23 ' A' ' 72' ' ' LEU . 3.9 mm? -57.11 -32.18 66.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 87' ' ' ILE . 40.6 mmm -60.38 -32.59 71.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.4 p -87.82 -40.7 13.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.2 m -59.32 -50.8 72.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.2 m -120.4 169.63 10.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.9 m -105.41 179.18 4.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.579 ' HD2' ' CZ3' ' A' ' 99' ' ' TRP . 17.0 tptp -66.39 -36.13 82.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -73.83 -20.05 60.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -77.38 -29.36 53.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.579 ' CZ3' ' HD2' ' A' ' 96' ' ' LYS . 10.4 m0 -69.03 111.78 9.54 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.698 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 138.5 38.06 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.266 . . . . 0.0 112.334 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 m -67.33 127.3 32.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 31.6 m -135.47 149.07 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -96.56 120.35 36.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.7 ttm -89.71 133.48 34.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -112.54 139.12 48.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 106' ' ' VAL . 9.6 t -129.15 44.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.767 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -89.89 148.27 23.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 t70 49.25 39.48 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.686 ' O ' HG13 ' A' ' 128' ' ' VAL . . . 52.65 30.49 8.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.552 HG23 ' CG ' ' A' ' 127' ' ' ARG . 28.6 m -117.78 142.64 47.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.6 t -106.31 113.87 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 99.0 m -128.16 119.18 24.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.86 99.45 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 13.7 mm -90.32 150.64 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -81.72 124.04 29.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.81 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.401 ' O ' ' CD ' ' A' ' 116' ' ' GLU . 1.7 tm-20 -54.32 -20.25 6.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.04 -45.31 34.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -141.79 136.41 30.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.4 -43.48 81.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 0.6 OUTLIER -62.23 -19.59 63.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -75.73 85.91 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 122' ' ' VAL . 0.3 OUTLIER -88.83 91.27 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.153 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.41 -67.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 90.8 t -117.02 144.94 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -133.23 95.2 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.2 t -117.32 163.87 15.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.552 ' CG ' HG23 ' A' ' 110' ' ' THR . 17.9 mtt-85 -128.9 173.74 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 109' ' ' ALA . 30.9 m -78.7 -33.15 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.1 mtt-85 -62.07 -33.67 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -87.69 -26.94 22.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.765 HD21 ' HB3' ' A' ' 134' ' ' MET . 2.0 tt -53.39 121.29 7.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 88.9 p -92.39 -61.0 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.715 ' HB2' HG12 ' A' ' 78' ' ' VAL . 52.0 t80 -133.97 146.12 50.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.765 ' HB3' HD21 ' A' ' 131' ' ' LEU . 3.5 ptp -150.74 116.15 5.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -144.27 -173.56 15.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.4 t -122.33 145.57 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 111.135 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -79.11 -169.91 37.98 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -48.02 -44.64 31.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.762 0.315 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -89.41 146.3 24.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.524 ' HB ' HD13 ' A' ' 18' ' ' LEU . 30.4 m -85.27 18.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 160' ' ' TRP . 13.3 m80 -117.78 13.93 14.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 71.2 p -132.69 112.08 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -117.42 128.2 54.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -131.3 148.47 52.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 6.7 p90 -140.01 134.18 31.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.3 mt -99.86 123.91 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' MET . . . . . . . . . . . . . 3.8 ptm -111.16 170.58 8.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -110.43 119.44 39.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 59.0 p -104.45 -45.02 4.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -115.08 -140.31 7.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -82.71 -61.39 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -117.86 11.63 13.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -87.89 138.03 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -137.08 133.72 35.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -110.96 125.02 53.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 6.2 t -104.37 108.71 20.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' HIS . . . . . 0.432 ' CE1' ' HB2' ' A' ' 71' ' ' MET . 87.2 m-70 -104.1 126.59 51.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.429 ' CG1' HD22 ' A' ' 69' ' ' LEU . 41.6 t -102.72 144.34 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -143.57 142.68 31.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.578 ' CZ2' ' HB2' ' A' ' 141' ' ' HIS . 30.3 t-105 -98.07 131.17 44.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 66.1 m -116.21 158.96 22.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.554 ' HA ' ' C ' ' A' ' 163' ' ' PRO . 54.1 mt-10 -148.69 146.6 22.49 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.65 0.738 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 162' ' ' GLU . 54.1 Cg_endo -69.75 1.5 5.27 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.638 -1.817 . . . . 0.0 112.379 -0.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.457 ' N ' ' OD1' ' A' ' 164' ' ' ASN . 6.2 p-10 -171.81 173.43 4.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -94.62 27.04 3.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.499 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -74.87 -56.3 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.058 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -55.48 -52.99 61.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 94.2 t -58.04 -63.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' SER . . . . . . . . . . . . . 82.4 p -44.2 -45.64 8.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.31 -42.22 93.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -60.54 -44.07 96.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.069 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 175' ' ' ALA . 96.3 t -65.79 -37.37 79.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . 0.552 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 4.3 mt-30 -55.07 -63.5 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -48.67 -42.37 34.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 172' ' ' VAL . . . -41.19 -48.79 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 64.8 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.919 . . . . . . . . 0 0 . 1 stop_ save_