data_2rrd_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 2rrd _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 ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.79 0.328 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.79 -43.64 94.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -20.24 59.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.044 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.409 ' CB ' HD11 ' A' ' 59' ' ' LEU . 67.5 mmm -79.07 -42.52 26.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.214 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.403 ' N ' HD11 ' A' ' 59' ' ' LEU . 5.7 m -65.88 -36.51 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 110.773 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -63.69 -46.87 83.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.479 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -32.11 67.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.617 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.39 -37.58 87.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.3 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.08 -40.19 92.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.654 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.28 -53.77 5.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.671 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -46.74 71.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.78 0.324 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 mt -59.59 -30.57 68.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 m -59.31 -47.47 85.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.549 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -58.42 -59.94 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.1 p -51.62 -40.41 25.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.2 m -59.93 -51.02 71.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.731 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -59.43 -48.7 80.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.764 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 m -57.4 -30.47 64.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.2 mt -75.97 -30.15 58.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -72.97 -46.96 26.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.595 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -59.96 -24.07 64.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.66 0.267 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.85 -34.19 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.443 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.411 ' CE1' ' HE3' ' A' ' 79' ' ' LYS . 22.0 m-85 -96.22 18.0 14.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.331 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.97 39.42 40.59 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.996 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.409 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 5.6 m -132.99 162.33 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.897 0.379 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.41 162.39 23.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.214 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -52.72 -54.57 31.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.033 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -58.86 -23.28 60.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -63.91 -29.83 70.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.113 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.417 HD13 ' CE1' ' A' ' 80' ' ' TYR . 29.9 mm -71.86 -67.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.259 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.428 ' CD1' HG22 ' A' ' 51' ' ' THR . 8.3 m-30 -138.19 143.88 40.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -84.68 165.35 17.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.8 m -49.09 -43.83 41.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.106 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 m -63.09 -30.04 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.428 HG22 ' CD1' ' A' ' 47' ' ' PHE . 99.1 m -75.39 -50.03 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 mt -52.8 -45.88 67.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.048 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -66.54 -36.38 82.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.767 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.401 ' HB3' ' CD1' ' A' ' 69' ' ' ILE . 0.1 OUTLIER -60.93 -55.78 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.776 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' CD1' HD21 ' A' ' 66' ' ' LEU . 6.3 mp -53.0 -25.3 11.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.103 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.71 -59.08 2.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.618 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -44.54 -30.19 0.85 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.218 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 t -90.57 -41.45 11.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.661 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.445 HD21 ' CG ' ' A' ' 91' ' ' TYR . 8.0 mt 59.45 26.28 15.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 m -122.18 121.19 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.32 84.32 7.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.785 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.423 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -125.25 147.76 58.5 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.785 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 4.6 Cg_exo -75.78 -43.47 0.34 Allowed 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.516 2.144 . . . . 0.0 112.153 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.19 -35.59 61.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.0 t -68.72 -43.38 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.973 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 36.3 mt -73.69 -17.87 61.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.252 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.06 -36.34 64.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.88 0.372 . . . . 0.0 110.866 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.35 -3.68 34.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.712 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 54' ' ' LYS . 26.3 mm -63.72 145.81 13.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.845 0.355 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -65.31 114.74 4.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.031 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.68 -34.83 5.42 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.637 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.414 HG23 ' CE1' ' A' ' 47' ' ' PHE . 35.2 t -72.83 140.77 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.927 0.394 . . . . 0.0 111.218 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.5 p -131.84 -178.52 4.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.764 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -62.76 -29.77 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -77.22 -28.73 53.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -81.32 -33.97 32.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.04 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.412 ' CD2' ' CB ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -81.08 -20.47 41.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -91.17 -29.3 17.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HE3' ' CE1' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -96.47 -58.17 2.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.305 -179.667 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.417 ' CE1' HD13 ' A' ' 46' ' ' ILE . 24.3 m-85 -81.48 -28.0 34.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.423 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.03 -43.92 18.16 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.894 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.61 -27.82 63.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.712 0.291 . . . . 0.0 111.23 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.28 -60.95 1.51 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.273 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -50.69 -44.9 26.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.522 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.0 mt -67.98 -29.84 46.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.691 0.282 . . . . 0.0 110.9 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.4 t -56.3 -30.67 62.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.034 0.445 . . . . 0.0 110.318 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.73 -19.51 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.416 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.528 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -87.01 -21.11 26.33 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.205 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.51 -36.61 55.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.0 0.428 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -59.93 -45.21 93.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.528 ' CE2' ' HA ' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -60.21 -39.6 87.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.55 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.21 -29.5 58.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.747 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.895 179.666 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.813 0.339 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.34 -30.38 68.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -78.26 -30.3 48.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.0 mmm -73.63 -47.83 37.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.5 m -58.24 -41.81 81.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -60.96 -40.52 93.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.558 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -59.56 -30.44 68.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.595 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.3 t -67.81 -35.15 78.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.456 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.14 -43.49 98.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.716 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.37 -45.45 14.46 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.701 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -50.55 73.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.047 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 mt -59.35 -28.07 66.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.414 HG21 ' CZ ' ' A' ' 43' ' ' TYR . 87.4 m -61.73 -45.0 95.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.874 0.368 . . . . 0.0 110.394 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -59.69 -58.74 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.778 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -54.48 -34.16 28.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -63.5 -53.19 55.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.615 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -59.26 -51.46 69.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -56.11 -29.72 61.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.41 HD12 ' CD1' ' A' ' 80' ' ' TYR . 18.4 mt -71.29 -27.25 63.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.402 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -77.74 -34.29 39.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.77 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.84 -26.46 59.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.16 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -87.17 -36.28 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.388 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.412 ' CZ ' ' HG3' ' A' ' 79' ' ' LYS . 26.9 m-85 -92.02 -25.19 18.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.35 28.35 10.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.644 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.402 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 10.8 m -119.07 161.06 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.846 0.355 . . . . 0.0 111.002 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.44 162.41 29.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.057 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.414 ' CZ ' HG21 ' A' ' 29' ' ' THR . 8.1 t80 -58.6 -50.81 72.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.75 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -28.42 69.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.066 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.98 -29.1 66.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.021 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.428 HD12 ' CE1' ' A' ' 80' ' ' TYR . 25.0 mm -69.25 -67.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.915 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.429 ' CE1' HG23 ' A' ' 72' ' ' VAL . 9.1 m-30 -138.99 173.72 11.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.729 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.89 165.21 12.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.764 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.7 m -53.07 -34.12 55.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.954 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.8 p -73.51 -29.82 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.401 HG21 ' CG ' ' A' ' 47' ' ' PHE . 97.8 m -69.4 -54.33 14.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -54.27 -50.37 67.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.93 -31.42 64.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -69.69 -59.35 3.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.683 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.426 HD23 HD22 ' A' ' 66' ' ' LEU . 1.1 mp -56.32 -22.63 31.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.111 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.31 -59.24 2.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.75 -34.77 40.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.039 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -68.81 -51.05 44.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.71 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.94 41.19 6.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.6 m -139.11 144.62 38.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.78 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -98.35 84.5 3.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.059 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.5 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 55.5 m-20 -125.37 156.49 70.08 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.543 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -87.82 -49.85 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.738 2.292 . . . . 0.0 112.912 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -37.26 66.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.835 0.35 . . . . 0.0 111.411 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.7 t -53.31 -26.06 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 12.8 mt -86.34 -28.83 23.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.036 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -37.96 75.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -73.46 -10.18 59.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.326 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.48 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 19.4 mm -74.02 136.78 24.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.863 0.363 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.45 125.22 22.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.01 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.89 -31.55 8.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.585 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.429 HG23 ' CE1' ' A' ' 47' ' ' PHE . 9.8 t -85.07 114.0 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 0.0 111.064 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.27 -176.88 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -67.55 -19.62 65.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -90.04 -38.0 13.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.926 0.393 . . . . 0.0 111.215 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -67.78 -37.05 81.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.445 HD22 ' CD1' ' A' ' 66' ' ' LEU . 1.1 tm? -78.45 -24.05 46.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.414 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -87.47 -27.14 22.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.659 0.266 . . . . 0.0 111.485 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.412 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -96.38 -24.86 15.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.731 -179.527 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.428 ' CE1' HD12 ' A' ' 46' ' ' ILE . 43.5 m-85 -114.16 -23.08 9.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -45.75 -39.76 8.61 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.112 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.62 -27.13 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.778 0.323 . . . . 0.0 111.288 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -96.27 -60.29 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.274 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.28 -55.36 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.386 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.2 mt -57.51 -29.84 34.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.082 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.1 t -56.41 -32.74 65.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.966 0.413 . . . . 0.0 110.438 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.4 t -90.58 -19.8 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.345 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.519 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -86.01 -15.4 41.56 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.301 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.72 -35.62 61.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.824 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -63.96 -43.5 95.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.519 ' CE2' ' HA ' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -60.5 -41.56 94.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.666 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -31.9 63.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.666 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.798 179.755 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.867 0.365 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.98 -56.59 15.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -60.16 -26.3 66.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.6 mtp -62.57 -63.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.343 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.412 ' HA ' ' CD2' ' A' ' 59' ' ' LEU . 2.9 m -52.24 -43.53 39.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.731 0.301 . . . . 0.0 111.238 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -59.74 -48.68 80.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.035 0.445 . . . . 0.0 110.376 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -32.48 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.47 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.441 ' HA ' ' OH ' ' A' ' 91' ' ' TYR . 10.3 t -68.19 -34.28 75.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.602 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.29 -38.56 87.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.533 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.31 -43.84 12.32 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.56 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -60.08 -50.88 71.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.27 -31.07 68.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 95.1 m -60.09 -36.83 78.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.511 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.84 -59.1 3.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.738 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.3 p -52.48 -38.41 26.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.5 m -58.45 -50.67 72.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.418 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 6.7 mttt -60.3 -49.85 75.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.667 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -55.78 -25.41 40.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.1 mt -81.83 -29.66 32.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.19 -28.73 61.57 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.768 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -30.08 54.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 111.089 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -83.14 -34.38 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.266 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -90.35 -25.96 20.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.005 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.11 18.38 36.99 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.636 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -106.94 175.16 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.789 0.328 . . . . 0.0 111.008 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -89.48 162.08 15.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.418 ' CG ' ' HE2' ' A' ' 33' ' ' LYS . 7.6 t80 -54.61 -49.59 70.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -25.32 68.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.999 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -62.6 -31.08 71.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.164 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.443 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 30.1 mm -68.97 -67.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.191 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.42 ' CE2' HG13 ' A' ' 84' ' ' VAL . 6.7 m-30 -137.27 159.31 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.983 0.421 . . . . 0.0 111.002 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -100.23 165.38 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.8 m -48.45 -42.56 32.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.233 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.8 m -65.76 -34.93 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.413 HG23 ' CD1' ' A' ' 47' ' ' PHE . 89.4 m -69.7 -46.93 64.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.6 mt -57.37 -44.0 84.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.15 -32.54 71.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.783 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -55.01 15.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.405 HD21 ' CE2' ' A' ' 47' ' ' PHE . 6.6 mp -52.79 -26.05 13.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.009 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.416 ' O ' HD22 ' A' ' 59' ' ' LEU . . . -90.01 -58.37 2.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.469 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -40.09 -32.44 0.17 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.618 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.8 t -86.05 -42.21 14.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.433 HD13 ' CG ' ' A' ' 91' ' ' TYR . 0.2 OUTLIER 63.05 36.53 12.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.3 130.95 27.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.33 84.58 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 1.6 m-20 -125.42 148.7 62.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 3.2 Cg_exo -74.7 -52.65 0.11 Allowed 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.529 2.153 . . . . 0.0 112.134 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -65.38 -32.43 74.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.0 t -71.78 -48.05 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.015 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.407 ' CB ' ' CD2' ' A' ' 77' ' ' LEU . 35.5 mt -70.67 -17.86 62.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.326 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.67 -36.38 60.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -75.44 -3.38 33.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.728 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.7 mm -63.83 149.18 10.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -68.28 116.37 8.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.29 -30.6 10.03 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.609 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.4 t -78.42 121.33 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 111.167 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.7 p -107.79 -177.63 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.34 -25.5 68.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -83.38 -27.37 29.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.219 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -74.71 -37.6 62.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.187 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.407 ' CD2' ' CB ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -79.56 -21.45 45.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -91.58 -28.81 17.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.261 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -96.12 -58.34 2.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.461 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.443 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 14.6 m-85 -82.01 -27.57 33.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.304 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.83 -27.97 5.14 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.725 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.37 -28.25 66.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.774 0.321 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -96.36 -61.92 1.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.272 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.42 HG13 ' CE2' ' A' ' 47' ' ' PHE . 3.3 m -48.19 -54.17 4.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.544 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.4 ' HA ' ' HB2' ' A' ' 88' ' ' LEU . 35.9 mt -57.88 -28.6 33.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.703 0.287 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -33.24 68.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.025 0.441 . . . . 0.0 110.177 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.5 t -90.62 -19.63 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.314 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.522 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -87.23 -14.0 42.25 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.159 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -55.36 -37.62 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.879 0.371 . . . . 0.0 110.965 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -62.62 -27.51 69.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.186 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 7.3 m-30 -71.0 -52.14 21.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.848 0.356 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.95 -25.76 12.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.006 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.773 0.321 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -62.17 -35.1 77.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.14 -23.27 57.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 80.8 mmm -76.76 -50.37 13.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.065 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 m -57.03 -41.48 77.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.94 0.4 . . . . 0.0 110.802 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -64.38 -40.8 96.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.402 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -60.35 -28.56 68.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.664 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.1 t -69.01 -37.38 78.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.463 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -45.74 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.71 -43.49 23.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.824 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -59.05 -51.2 71.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 111.003 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.5 -28.56 67.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.039 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.5 m -61.58 -40.1 93.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 110.639 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -65.53 -58.51 5.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.6 p -52.68 -33.24 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.961 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -62.92 -55.43 26.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.691 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -58.53 -46.74 86.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.7 t -56.63 -30.87 63.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.771 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.5 mt -77.44 -28.78 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.425 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -76.81 -48.48 8.66 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.592 -0.814 . . . . 0.0 112.658 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -23.25 35.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.649 0.261 . . . . 0.0 111.177 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.3 m -92.0 -29.58 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.435 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.429 ' CE1' ' HE3' ' A' ' 79' ' ' LYS . 28.6 m-85 -103.6 13.79 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.477 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.8 33.44 55.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.068 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.425 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 24.3 m -124.68 138.15 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.934 0.397 . . . . 0.0 111.037 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -57.44 162.2 3.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.353 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -56.04 -50.17 71.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.865 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -58.87 -27.43 65.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.79 -29.2 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.447 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 24.5 mm -73.99 -67.35 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.421 ' CG ' HG23 ' A' ' 51' ' ' THR . 11.1 m-30 -137.97 171.44 14.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.944 0.402 . . . . 0.0 111.043 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -114.08 165.36 12.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.4 m -52.18 -32.29 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.1 m -73.22 -27.76 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.287 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.421 HG23 ' CG ' ' A' ' 47' ' ' PHE . 54.3 m -73.0 -57.05 4.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 mt -53.02 -49.12 66.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -57.67 -33.54 68.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -57.18 5.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.494 ' HG ' ' CD2' ' A' ' 66' ' ' LEU . 1.2 mp -59.33 -20.04 51.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.53 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.51 -56.04 4.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.705 0.288 . . . . 0.0 111.027 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.08 -43.54 82.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 m -61.43 -52.78 63.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.407 ' HG ' ' HB3' ' A' ' 91' ' ' TYR . 0.3 OUTLIER 65.61 36.42 6.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.2 m -133.1 137.12 46.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.5 p -93.03 84.92 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.558 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -125.21 156.39 69.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.853 179.788 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -88.48 -51.25 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.845 2.363 . . . . 0.0 112.666 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -69.35 -43.58 73.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.053 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.3 t -52.76 -26.07 9.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.014 0.435 . . . . 0.0 111.0 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 91.3 mt -84.69 -28.88 26.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.204 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.34 -36.82 78.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.678 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -74.19 -19.24 60.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.255 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.417 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 19.5 mm -63.74 135.1 28.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.27 128.68 37.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.987 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.85 -25.71 22.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.659 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.8 t -88.82 115.58 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.063 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.76 -179.62 4.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -68.74 -29.64 68.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -77.74 -35.46 51.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -73.57 -31.74 63.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.973 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.481 HD23 ' CD1' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -81.03 -25.24 37.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.018 -179.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -90.99 -22.34 20.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.238 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.429 ' HE3' ' CE1' ' A' ' 39' ' ' PHE . 3.5 tttt -96.43 -44.06 7.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.594 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.447 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 29.7 m-85 -98.58 -22.61 15.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.76 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -47.07 -27.58 3.64 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.988 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.15 -28.89 64.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.687 0.28 . . . . 0.0 111.299 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.4 -58.5 2.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.416 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.2 m -48.67 -50.57 12.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.515 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.8 mt -60.62 -32.41 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.734 0.302 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.7 t -55.17 -31.95 61.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.976 0.417 . . . . 0.0 110.515 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.9 t -90.48 -19.86 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.369 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.528 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.4 OUTLIER -82.25 -25.95 33.63 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.859 -179.409 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -48.18 -36.31 13.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.96 0.41 . . . . 0.0 110.952 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -64.65 -32.6 74.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.807 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.528 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 1.4 m-30 -74.01 -32.9 63.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.587 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -35.25 74.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.765 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.762 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.746 0.308 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -34.81 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -76.56 -17.86 58.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.141 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.31 -37.3 23.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.284 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.438 ' N ' HD21 ' A' ' 59' ' ' LEU . 3.0 m -70.98 -35.69 60.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.906 0.384 . . . . 0.0 110.977 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -68.71 -56.23 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.744 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -57.56 -31.69 66.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.67 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.413 ' SG ' ' CE2' ' A' ' 91' ' ' TYR . 6.0 t -61.35 -43.95 98.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.505 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.6 -39.98 81.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.4 -40.37 48.43 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.672 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -62.11 -53.75 50.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 110.942 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.431 ' HA ' HD21 ' A' ' 28' ' ' LEU . 94.5 mt -58.88 -26.32 64.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.009 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.3 m -64.18 -36.86 85.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.86 0.362 . . . . 0.0 110.31 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -56.91 7.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.605 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.2 -29.64 32.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.968 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -65.94 -41.04 91.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.78 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -71.41 -45.74 61.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -55.61 -44.57 77.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 60.3 mt -60.57 -32.93 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.627 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.31 -20.9 80.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.565 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -86.25 -28.17 23.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.698 0.285 . . . . 0.0 111.056 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 36.0 m -90.71 -40.04 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.446 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.407 ' CD1' ' HE2' ' A' ' 79' ' ' LYS . 40.4 m-85 -83.21 -27.18 30.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.11 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.1 24.7 21.71 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.627 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.4 m -110.22 174.5 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 111.028 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -86.56 162.16 18.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.176 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -55.54 -60.02 4.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -59.01 -21.09 58.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -42.21 81.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.06 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.453 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 34.0 mm -61.7 -67.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.113 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 21.2 m-85 -137.7 160.08 40.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.994 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.18 165.32 11.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.1 m -50.49 -43.71 55.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.07 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.9 m -65.88 -28.79 44.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.0 m -69.23 -58.24 4.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.228 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.84 -49.42 65.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -36.7 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.975 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.409 ' HB3' ' CD1' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -65.74 -60.11 3.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.018 -179.815 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.4 HD22 ' CD1' ' A' ' 66' ' ' LEU . 0.5 OUTLIER -52.93 -25.09 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.734 0.302 . . . . 0.0 111.201 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.19 -55.33 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.128 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -47.23 -29.25 2.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.048 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -84.88 -41.99 15.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.776 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.438 HD21 ' N ' ' A' ' 21' ' ' VAL . 0.2 OUTLIER 64.57 44.32 4.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.635 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.31 142.49 37.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.6 p -97.99 85.07 3.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.481 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.2 m-20 -124.55 156.28 67.97 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -86.95 -47.8 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.77 2.313 . . . . 0.0 112.884 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -76.82 -36.13 57.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.817 0.341 . . . . 0.0 111.253 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -54.03 -23.78 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.365 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 1.5 mt -86.92 -32.97 19.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.91 0.386 . . . . 0.0 110.635 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.91 -38.79 68.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -72.07 -21.36 61.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 54' ' ' LYS . 33.8 mm -63.84 147.45 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -70.3 125.19 26.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.08 -27.49 20.16 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.586 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.4 t -81.37 152.57 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.5 p -144.04 -178.81 6.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.91 -29.31 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -80.44 -32.86 37.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.054 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -68.68 -43.0 77.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.435 HD21 ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -73.56 -15.12 61.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.266 179.79 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -91.37 -41.27 10.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.786 0.327 . . . . 0.0 111.15 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.407 ' HE2' ' CD1' ' A' ' 39' ' ' PHE . 17.5 tttt -81.59 -52.6 7.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.245 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.453 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 26.9 m-85 -97.76 30.17 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.069 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -91.37 -10.81 61.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.978 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.25 -24.35 15.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -96.28 -70.3 0.72 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.417 ' CG1' ' O ' ' A' ' 80' ' ' TYR . 9.6 p -55.02 -32.65 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.658 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.9 mm -69.03 -36.63 74.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.815 0.34 . . . . 0.0 110.275 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.3 p -56.72 -31.6 64.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.084 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.7 t -78.55 -23.05 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.784 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.598 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.4 OUTLIER -80.85 -25.5 37.65 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.367 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -51.99 -25.55 8.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 111.193 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -81.24 -26.95 35.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.295 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.598 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 3.5 m-30 -72.5 -30.39 64.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.08 -29.55 19.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.101 -179.771 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 mtt-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.722 0.296 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -60.34 -59.88 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -22.93 67.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.483 ' HB3' HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -63.33 -61.85 2.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.273 -179.787 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.413 ' HA ' HD23 ' A' ' 59' ' ' LEU . 11.1 m -55.55 -39.78 55.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 111.344 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -62.91 -46.51 87.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.63 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -29.11 68.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.769 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.6 t -66.53 -40.09 88.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.53 -37.74 84.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.779 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.09 -45.9 11.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.562 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.25 -51.07 71.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 111.04 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.0 mt -58.94 -28.0 65.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.184 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.406 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 87.6 m -63.91 -37.84 88.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.374 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -58.38 6.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.828 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 p -57.55 -32.55 42.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -60.26 -45.29 93.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.709 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 9.8 mttt -67.6 -44.23 78.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.766 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.1 m -56.56 -34.06 66.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.784 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.0 mt -77.99 -29.91 49.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.441 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -76.15 -26.81 63.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.821 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -76.77 -24.79 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.74 0.305 . . . . 0.0 111.123 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.1 m -92.07 -30.72 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.509 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.429 ' CE1' ' HE2' ' A' ' 79' ' ' LYS . 25.1 m-85 -95.07 17.64 13.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.391 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.37 44.33 44.7 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.087 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.441 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 5.9 m -134.68 172.2 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.656 0.265 . . . . 0.0 111.071 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.53 162.09 14.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.032 0.444 . . . . 0.0 111.35 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.428 ' CG ' ' HE2' ' A' ' 33' ' ' LYS . 12.9 t80 -56.99 -22.92 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.002 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -91.45 15.08 13.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.334 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -104.71 -30.78 9.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.856 0.36 . . . . 0.0 110.734 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.425 HD11 ' CE1' ' A' ' 80' ' ' TYR . 29.3 mm -69.8 -67.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -133.88 158.68 42.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.787 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -95.32 165.34 12.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.962 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.8 m -52.12 -46.25 65.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.996 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.5 p -71.81 -26.18 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 m -69.83 -49.24 54.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.076 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.5 mt -58.35 -51.38 70.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.055 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -55.37 -30.88 61.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.871 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -62.61 -55.95 22.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.595 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' A' ' 66' ' ' LEU . 1.8 mp -59.13 -23.03 61.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.382 179.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.66 -49.62 8.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.62 -34.13 64.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.937 0.399 . . . . 0.0 110.659 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -84.69 -48.38 9.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.466 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' A' ' 20' ' ' MET . 0.1 OUTLIER 63.54 50.45 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.086 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.8 m -139.29 125.69 20.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.764 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.408 ' HB3' ' CB ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -86.11 84.22 7.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.088 -179.799 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.593 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 11.9 m-20 -126.2 147.65 60.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.728 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 4.7 Cg_exo -79.07 -40.18 0.29 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.76 2.307 . . . . 0.0 112.418 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.04 -37.15 39.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.324 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.418 ' CG2' ' CB ' ' A' ' 62' ' ' ASP . 59.4 t -57.1 -38.63 61.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.211 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 15.2 mt -71.8 -31.88 67.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.14 -36.75 73.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -76.14 -19.61 58.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.381 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.422 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 22.0 mm -63.69 139.71 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 111.021 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -67.37 122.42 17.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.53 -28.97 11.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.453 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -85.02 133.19 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p -123.49 -178.07 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -42.14 98.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -66.91 -43.08 84.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.431 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 9.2 mmtm -59.81 -52.98 63.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.459 HD23 ' CD1' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -68.74 -12.16 61.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.791 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -81.04 -61.86 1.83 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.675 0.274 . . . . 0.0 111.62 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.429 ' HE2' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -80.92 -41.72 22.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.956 -179.041 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.431 ' CD2' ' HA ' ' A' ' 76' ' ' LYS . 15.8 m-85 -80.94 -28.22 35.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.623 0.249 . . . . 0.0 111.402 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.61 -27.07 5.77 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.814 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.41 -24.05 50.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.713 0.292 . . . . 0.0 111.261 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.2 -61.7 1.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.196 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.2 m -49.8 -54.52 7.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.34 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.405 ' HA ' HD11 ' A' ' 88' ' ' LEU . 27.3 mt -59.45 -25.68 31.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.07 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.9 t -60.74 -33.11 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.988 0.423 . . . . 0.0 110.312 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.3 t -90.76 -19.77 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.467 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.501 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -87.41 -17.8 31.45 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.27 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.54 -25.55 17.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 0.0 111.247 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -75.86 -29.01 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.164 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.501 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 4.9 m-30 -69.73 -51.95 29.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.188 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.2 t -62.69 -23.77 67.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.267 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.418 -179.741 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.747 0.308 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -34.79 60.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.939 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.21 -30.27 34.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.441 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -67.24 -44.21 80.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.977 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.41 ' HA ' ' CD2' ' A' ' 59' ' ' LEU . 14.7 m -67.38 -45.07 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.179 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -60.61 -41.32 94.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -57.75 -31.12 66.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.438 ' HB2' ' CD2' ' A' ' 59' ' ' LEU . 19.1 t -69.44 -33.94 73.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.16 -41.44 98.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.848 0.356 . . . . 0.0 110.602 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.76 -44.45 10.37 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.641 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.04 -49.33 78.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.93 0.395 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.3 mt -60.94 -30.03 69.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.9 m -61.22 -32.47 72.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.355 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.11 -59.37 2.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.6 p -53.16 -38.49 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.7 m -60.62 -43.72 97.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.711 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -58.67 -54.29 48.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -56.75 -31.31 64.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.794 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.405 HD13 ' CD1' ' A' ' 80' ' ' TYR . 26.9 mt -71.85 -21.47 61.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.037 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.403 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -81.61 -37.19 17.68 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.666 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -73.87 -27.19 60.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.703 0.287 . . . . 0.0 111.016 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.9 m -85.46 -28.85 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.534 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.437 ' CZ ' ' HG2' ' A' ' 79' ' ' LYS . 44.6 m-85 -107.93 17.53 22.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.486 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 49.88 41.31 36.18 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.053 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.403 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 7.0 m -132.16 155.83 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.076 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.16 162.22 28.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.305 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -56.53 -48.0 78.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.789 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -18.72 65.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.255 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -72.33 -30.35 64.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.269 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.423 HD13 HG21 ' A' ' 46' ' ' ILE . 30.2 mm -67.0 -67.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.146 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.407 ' CG ' HG22 ' A' ' 51' ' ' THR . 8.9 m-30 -138.24 150.09 46.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.994 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -92.13 165.36 13.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -51.37 -37.57 48.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.089 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.1 m -67.12 -26.64 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.277 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.407 HG22 ' CG ' ' A' ' 47' ' ' PHE . 77.0 m -74.33 -55.92 5.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.6 mt -56.27 -47.49 78.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.238 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -57.47 -35.01 69.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.768 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -59.25 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.651 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.504 ' HG ' ' CD2' ' A' ' 66' ' ' LEU . 1.6 mp -58.53 -20.43 46.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.556 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.89 -50.97 10.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.345 . . . . 0.0 111.15 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.52 -47.51 73.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.077 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.2 p -71.37 -49.38 42.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.503 HD12 ' CG ' ' A' ' 91' ' ' TYR . 0.0 OUTLIER 64.61 50.94 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -139.18 146.1 40.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.704 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.66 84.81 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 4.4 m-20 -125.37 156.83 69.59 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -87.24 -59.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.956 2.437 . . . . 0.0 112.252 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -61.12 -47.09 87.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.412 HG22 ' CB ' ' A' ' 62' ' ' ASP . 39.1 t -52.5 -26.69 10.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.012 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 79.5 mt -87.43 -17.83 31.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.536 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.78 -37.31 70.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.45 -9.24 58.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.636 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.411 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 27.8 mm -68.06 152.3 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.854 0.359 . . . . 0.0 111.156 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -71.79 121.75 19.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.57 -34.75 4.67 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.651 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.3 123.51 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.335 . . . . 0.0 111.248 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 p -121.0 -178.56 3.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.744 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.93 -45.15 91.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -63.17 -33.25 75.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -74.74 -35.58 62.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.458 HD21 ' CD1' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -82.25 -18.74 41.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.245 -179.831 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -91.47 -28.64 17.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.437 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 8.7 ttpt -96.52 -57.91 2.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.259 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.416 ' CZ ' HD13 ' A' ' 46' ' ' ILE . 27.6 m-85 -82.83 -28.02 30.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.459 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -44.89 -42.02 7.65 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 121.072 -0.585 . . . . 0.0 113.168 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.03 -27.09 66.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.719 0.295 . . . . 0.0 111.384 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.2 -62.2 1.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.443 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.403 ' CG2' ' HA2' ' A' ' 81' ' ' GLY . 3.5 m -46.8 -52.05 4.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.426 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.5 mt -59.92 -27.65 39.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.841 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 t -58.47 -31.26 67.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 110.394 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.8 t -90.55 -19.6 7.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.356 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.487 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -86.53 -20.83 27.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.819 -179.39 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -49.78 -33.24 15.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.934 0.397 . . . . 0.0 111.11 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -65.69 -42.85 90.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.503 ' CG ' HD12 ' A' ' 59' ' ' LEU . 1.9 m-30 -58.9 -46.0 88.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.814 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.5 t -58.98 -21.28 58.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.367 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.767 0.318 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.49 -41.53 72.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.58 -24.64 56.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 61.2 mmm -72.04 -46.29 57.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.168 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.8 m -64.01 -35.9 75.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 111.056 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -63.35 -46.02 88.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.7 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -58.53 -28.94 65.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.945 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.4 t -66.29 -41.6 89.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.723 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.02 -40.08 88.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.94 -50.75 7.51 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.716 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -56.24 -49.14 75.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 111.178 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.9 mt -59.94 -28.16 67.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.9 m -62.21 -41.79 98.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.388 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.83 -58.54 7.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.704 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.7 p -54.92 -35.35 33.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.992 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.0 m -60.19 -52.61 64.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.62 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -58.39 -51.21 70.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.51 -30.92 61.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 80' ' ' TYR . 17.3 mt -71.94 -28.37 63.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.65 -22.98 65.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.725 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -77.96 -39.64 41.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.733 0.301 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.8 m -76.55 -31.71 20.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.401 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -93.33 -27.26 16.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.034 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.22 15.83 49.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.781 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.1 m -101.39 168.19 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 110.892 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.64 162.08 23.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.11 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -54.69 -53.69 51.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.863 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.05 -26.17 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -58.21 -32.94 68.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.975 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.423 HD13 ' CE1' ' A' ' 80' ' ' TYR . 32.9 mm -68.4 -67.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.417 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 10.8 m-30 -138.42 140.21 39.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.43 165.3 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.6 m -53.32 -41.7 65.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.7 p -72.78 -29.63 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.402 HG22 ' CD1' ' A' ' 47' ' ' PHE . 12.6 m -68.41 -48.42 64.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.217 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.31 -51.16 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.057 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -55.53 -29.31 58.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.23 -57.24 10.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.667 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.462 ' HG ' ' CD2' ' A' ' 66' ' ' LEU . 1.3 mp -58.24 -22.2 51.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.436 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.53 -58.05 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.977 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.77 -36.21 67.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 m -67.61 -53.17 30.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.834 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.56 37.71 4.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.297 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.4 p -139.14 137.5 36.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.757 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.76 84.22 2.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 111.078 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.599 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -125.82 156.07 71.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.559 179.493 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.62 -45.63 0.12 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.592 2.194 . . . . 0.0 111.944 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.97 -50.42 55.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.896 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.2 t -46.39 -48.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.737 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 12.1 mt -69.44 -27.34 65.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.154 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -37.53 79.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 110.753 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -72.73 -22.06 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.278 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 mm -63.91 134.26 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.16 131.14 50.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.04 -35.1 4.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.6 t -84.58 114.66 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.339 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.8 p -108.83 -178.15 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.24 -28.41 69.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -79.67 -45.58 18.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.019 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -57.95 -40.66 81.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -77.37 -11.84 59.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.277 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -86.46 -38.8 16.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.705 0.288 . . . . 0.0 111.408 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.402 ' HE2' ' CE1' ' A' ' 80' ' ' TYR . 7.9 ptmt -96.12 -48.69 5.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.577 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.423 ' CE1' HD13 ' A' ' 46' ' ' ILE . 24.6 m-85 -80.21 -28.17 38.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 111.28 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -46.82 -46.76 19.19 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.001 -0.618 . . . . 0.0 113.036 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.72 -25.05 62.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.712 0.291 . . . . 0.0 111.289 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -96.25 -61.34 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.226 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -49.24 -55.83 3.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.759 0.314 . . . . 0.0 111.522 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.4 mt -58.22 -27.49 32.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.245 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -33.95 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.026 0.441 . . . . 0.0 110.401 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.1 t -90.7 -19.91 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.476 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.51 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -85.35 -20.23 30.25 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.217 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.2 -33.07 18.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.033 0.444 . . . . 0.0 110.701 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -44.34 91.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.776 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.51 ' CE2' ' HA ' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -62.4 -37.57 86.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.43 179.741 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -57.14 -30.0 64.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.786 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.053 179.939 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ptp85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.796 0.331 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -80.98 -28.66 35.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.46 -40.03 27.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -46.22 86.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.5 m -61.0 -44.65 98.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.898 0.38 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -61.58 -41.15 97.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.558 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -30.01 68.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.736 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 t -67.87 -37.59 82.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.502 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.51 -43.92 96.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.24 -42.0 24.78 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.839 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.77 -52.7 63.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.863 0.363 . . . . 0.0 110.977 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 mt -58.04 -29.35 65.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.953 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.9 m -60.8 -43.21 98.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.524 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.22 -58.88 6.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.635 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 p -53.21 -36.66 26.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.048 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.1 m -58.36 -53.33 59.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.732 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.418 ' HE2' ' CD2' ' A' ' 43' ' ' TYR . 19.4 mttt -62.41 -44.02 97.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.754 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -25.24 56.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.986 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.417 HD11 ' CD1' ' A' ' 80' ' ' TYR . 52.6 mt -86.28 -28.85 23.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.402 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -79.4 -28.22 53.08 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.674 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -27.99 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.059 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.0 m -86.55 -35.3 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.259 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -90.61 -26.21 19.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.09 24.37 19.84 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.714 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.402 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 31.3 m -111.58 144.17 19.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.773 0.32 . . . . 0.0 110.982 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -59.45 160.15 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.056 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.418 ' CD2' ' HE2' ' A' ' 33' ' ' LYS . 5.2 t80 -57.08 -45.34 83.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.773 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.28 -26.8 68.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -58.51 -33.86 70.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.44 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 31.9 mm -68.9 -67.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.133 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 8.7 m-30 -138.53 172.71 12.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -116.71 165.27 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.766 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 m -52.25 -29.64 23.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.4 m -74.56 -29.82 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.228 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.5 m -74.25 -50.87 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.2 mt -57.15 -47.33 81.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -59.37 -36.76 76.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.765 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -67.19 -57.24 7.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.68 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.505 ' HG ' ' CD2' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -59.4 -20.33 54.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.392 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.9 -53.88 6.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.707 0.289 . . . . 0.0 110.989 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.14 -40.69 86.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.625 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.3 t -63.94 -51.01 66.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.751 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.98 41.77 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -139.25 148.15 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.73 84.79 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.852 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.549 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -125.13 156.97 68.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.637 179.706 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -86.99 -49.2 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.533 2.155 . . . . 0.0 112.867 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -35.18 69.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.406 ' CG2' ' CB ' ' A' ' 62' ' ' ASP . 39.1 t -59.82 -31.31 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 41.3 mt -83.69 -19.52 35.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.364 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.3 -36.28 79.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.896 0.379 . . . . 0.0 110.605 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -78.57 -15.73 58.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.597 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.431 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 22.9 mm -63.69 154.01 6.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.875 0.369 . . . . 0.0 111.063 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -74.41 132.74 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.32 -3.17 82.66 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.899 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.7 t -104.09 142.74 17.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.8 0.333 . . . . 0.0 111.032 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -137.48 178.74 6.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.88 -44.34 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -59.6 -42.65 93.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -65.12 -38.95 92.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -81.43 -12.62 58.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.377 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -91.13 -36.78 13.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.752 0.311 . . . . 0.0 110.936 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.33 -58.14 2.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.44 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 16.7 m-85 -76.84 -24.96 52.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.282 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.4 -48.33 21.63 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.802 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.65 -22.17 44.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.692 0.282 . . . . 0.0 111.343 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -62.6 1.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.138 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.3 m -48.35 -55.51 2.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.422 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.401 HG21 HD11 ' A' ' 85' ' ' ILE . 13.1 mt -57.56 -28.1 30.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.178 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.75 -32.74 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.113 0.483 . . . . 0.0 110.376 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.9 t -90.46 -19.66 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.308 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.497 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -86.89 -18.22 31.37 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.28 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -50.87 -36.85 40.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.789 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -62.33 -45.86 91.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.497 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 1.4 m-30 -57.21 -42.34 81.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.765 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.5 t -55.73 -30.97 62.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.79 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.778 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.727 0.299 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -65.1 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.032 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -59.27 -20.57 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.431 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -71.68 -42.54 67.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.237 -179.769 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.435 ' HA ' HD23 ' A' ' 59' ' ' LEU . 2.9 m -67.8 -31.71 53.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.371 . . . . 0.0 111.412 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.411 ' N ' HG23 ' A' ' 21' ' ' VAL . 3.2 mmmm -68.43 -46.37 70.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.722 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -57.97 -26.77 62.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.453 ' HA ' ' OH ' ' A' ' 91' ' ' TYR . 42.5 t -72.88 -36.27 67.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.034 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.9 -42.19 98.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.898 0.38 . . . . 0.0 110.68 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.0 -40.93 15.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.706 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.22 -54.23 43.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.881 0.372 . . . . 0.0 111.011 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.44 -29.34 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.067 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.421 HG21 ' CZ ' ' A' ' 43' ' ' TYR . 42.8 m -61.71 -37.34 83.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.415 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -66.37 -57.63 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.779 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.7 p -55.31 -33.4 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.035 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -58.38 -59.02 6.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.76 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -56.7 -48.4 77.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.28 -28.76 55.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.6 mt -79.22 -29.38 42.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.77 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.31 -25.3 68.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.557 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -29.77 46.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 111.008 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 m -86.01 -33.35 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.305 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 79' ' ' LYS . 21.7 m-85 -88.65 -27.03 21.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.08 27.37 12.39 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.583 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.3 m -116.93 175.06 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.968 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -89.63 162.19 15.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.091 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.421 ' CZ ' HG21 ' A' ' 29' ' ' THR . 8.4 t80 -53.83 -49.06 69.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.836 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.45 -26.67 68.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.51 -31.49 71.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.04 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.423 HD12 ' CZ ' ' A' ' 80' ' ' TYR . 28.3 mm -66.51 -67.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.056 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 8.7 m-30 -138.36 170.34 16.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -110.67 165.42 11.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.813 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.5 m -53.79 -29.3 39.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.0 m -75.69 -30.29 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.228 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 98.2 m -71.23 -54.58 10.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.4 mt -54.65 -51.2 66.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -58.9 -27.93 65.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.05 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -60.18 2.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.982 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.403 ' CD2' ' CD2' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -55.35 -23.51 24.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.365 179.658 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.403 ' O ' HD22 ' A' ' 59' ' ' LEU . . . -81.19 -46.4 14.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.29 -32.95 62.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.3 m -86.35 -48.15 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.747 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.546 HD13 ' CG ' ' A' ' 91' ' ' TYR . 0.1 OUTLIER 64.32 50.29 2.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.005 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.06 124.64 19.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.635 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.42 84.45 3.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.997 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.482 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.9 m-20 -125.69 151.58 70.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.63 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -86.96 -46.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.926 2.417 . . . . 0.0 112.838 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -37.01 51.31 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.2 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.416 ' CG2' ' CB ' ' A' ' 62' ' ' ASP . 62.1 t -52.57 -26.03 9.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.983 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.536 ' HB2' HD22 ' A' ' 77' ' ' LEU . 2.8 mt -83.53 -35.29 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.548 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.95 -40.06 56.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -71.98 -23.44 61.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.894 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.416 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 32.7 mm -63.97 147.97 11.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.05 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.69 129.3 38.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.29 -35.03 4.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.571 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.6 t -81.02 129.63 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 111.162 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.96 -176.3 3.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -28.4 66.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -81.45 -47.18 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.051 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -57.76 -32.47 67.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.536 HD22 ' HB2' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -85.2 -13.62 49.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.369 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -30.96 17.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 15.8 ptmt -96.67 -39.67 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.52 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.423 ' CZ ' HD12 ' A' ' 46' ' ' ILE . 29.5 m-85 -95.99 -27.88 14.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.748 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -46.86 -28.19 3.7 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.177 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.76 -27.39 60.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.758 0.313 . . . . 0.0 111.232 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.22 -57.08 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.62 -58.09 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.803 0.335 . . . . 0.0 111.09 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.402 HG23 HD11 ' A' ' 85' ' ' ILE . 29.5 mt -55.46 -25.03 16.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.7 t -61.2 -33.63 73.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.012 0.434 . . . . 0.0 110.31 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.3 t -90.53 -19.8 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.322 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.495 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -85.75 -19.16 31.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.859 -179.436 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -51.12 -29.45 13.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.825 0.345 . . . . 0.0 111.236 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -71.1 -32.78 69.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.546 ' CG ' HD13 ' A' ' 59' ' ' LEU . 4.5 m-30 -66.29 -53.08 40.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.057 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 m -56.26 -28.05 57.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.049 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.725 0.298 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -66.57 -41.81 88.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -78.84 -23.56 44.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.437 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -71.58 -43.72 65.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.147 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.412 ' HA ' HD22 ' A' ' 59' ' ' LEU . 21.0 m -68.93 -45.03 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.896 0.379 . . . . 0.0 111.303 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -43.74 96.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.754 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -56.62 -31.08 63.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.903 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.423 ' HB2' ' CD2' ' A' ' 59' ' ' LEU . 12.7 t -68.51 -34.05 75.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.702 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -39.86 93.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.433 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.65 -44.42 10.62 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.667 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.65 -50.71 72.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.718 0.294 . . . . 0.0 111.013 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.65 -33.63 70.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.3 m -57.32 -43.5 83.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.617 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.21 -61.36 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 p -49.91 -38.37 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.305 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.9 m -57.46 -56.66 18.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -61.1 -44.5 97.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.6 t -54.09 -28.48 39.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.0 mt -83.11 -28.71 29.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.48 -20.72 79.5 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.807 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -26.98 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 111.217 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.6 m -90.55 -29.23 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.352 . . . . 0.0 111.402 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.421 ' CE1' ' HE3' ' A' ' 79' ' ' LYS . 32.8 m-85 -96.13 -27.02 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.12 27.1 12.71 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.727 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.3 m -115.97 155.38 17.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.79 0.329 . . . . 0.0 111.065 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.46 162.04 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.048 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -56.29 -55.82 28.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.797 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.98 -24.28 62.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -57.49 -30.59 65.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.426 HD12 ' CZ ' ' A' ' 80' ' ' TYR . 24.1 mm -72.71 -67.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.426 ' CD1' HG22 ' A' ' 51' ' ' THR . 7.3 m-30 -139.41 166.3 24.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -109.27 165.5 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.759 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 m -49.74 -40.69 41.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.103 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.0 m -66.38 -28.65 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.094 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.426 HG22 ' CD1' ' A' ' 47' ' ' PHE . 97.3 m -72.86 -56.04 5.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.0 mt -55.13 -49.34 72.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.62 -29.26 64.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 110.743 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -73.82 -59.41 2.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.726 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.499 ' HG ' ' CD2' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -57.73 -21.56 41.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.412 179.709 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.21 -48.91 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 111.022 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -54.87 -46.93 74.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -72.99 -48.13 39.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.509 HD11 ' CG ' ' A' ' 91' ' ' TYR . 0.0 OUTLIER 64.3 51.0 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 p -139.07 146.39 40.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.625 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.69 84.35 2.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.971 0.415 . . . . 0.0 111.152 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.533 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 43.7 m-20 -125.9 156.21 71.83 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.425 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -81.58 -52.26 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.716 2.277 . . . . 0.0 112.533 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.64 -40.83 76.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.479 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.4 t -54.57 -26.27 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.882 0.372 . . . . 0.0 111.401 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 18.0 mt -88.72 -24.89 22.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.335 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -37.57 88.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.911 0.386 . . . . 0.0 111.008 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -75.05 -16.65 60.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.459 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.407 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 27.3 mm -63.8 150.38 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 111.133 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -73.05 127.21 31.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.55 -31.09 7.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.586 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.7 t -79.62 143.66 12.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.811 0.339 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.48 -177.39 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -67.31 -32.08 72.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -73.23 -40.23 64.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -68.56 -37.24 79.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.447 HD21 ' CD1' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -80.97 -15.9 54.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.209 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -90.46 -35.62 15.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.799 0.333 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HE3' ' CE1' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -96.22 -58.2 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.255 -179.72 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.426 ' CZ ' HD12 ' A' ' 46' ' ' ILE . 24.9 m-85 -78.88 -24.27 44.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.441 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.19 -27.23 7.13 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.685 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.88 -25.54 60.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.826 0.346 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.85 -58.46 2.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.425 HG12 ' CE2' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -50.62 -54.04 10.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.341 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.8 mt -59.96 -27.63 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 t -58.73 -32.21 69.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.912 0.387 . . . . 0.0 110.461 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.4 t -90.39 -19.76 7.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.375 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.487 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -85.4 -21.46 28.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.861 -179.302 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -34.67 27.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 0.0 111.169 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -64.67 -41.17 96.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.509 ' CG ' HD11 ' A' ' 59' ' ' LEU . 3.2 m-30 -57.44 -49.74 75.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -30.97 60.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.027 179.846 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.819 0.342 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -61.13 -45.08 96.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.94 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.86 -25.15 59.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 76.9 mmm -73.75 -50.43 20.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.2 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.7 m -58.5 -40.7 79.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.863 0.363 . . . . 0.0 111.264 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -60.27 -44.68 95.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.015 0.436 . . . . 0.0 110.691 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -58.27 -33.69 69.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.643 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.64 -37.61 87.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.519 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.08 -35.96 80.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.658 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.74 -54.2 4.67 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.604 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 22.4 mt-10 -56.73 -34.02 67.11 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.915 0.388 . . . . 0.0 110.985 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' HA ' ' CG1' ' A' ' 31' ' ' VAL . 15.0 mt -73.1 -21.32 60.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.829 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.3 m -68.82 -54.84 13.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.743 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 1.2 pp20? -56.9 -48.85 77.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.174 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 28' ' ' LEU . 2.9 p -56.44 -41.99 73.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.776 0.322 . . . . 0.0 110.7 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.6 m -60.07 -48.12 83.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.83 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.434 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 69.9 mttt -61.54 -48.46 80.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t -56.18 -38.84 71.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.5 mt -63.57 -35.63 81.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.801 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.414 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -71.86 -23.48 77.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.655 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -79.99 -28.47 39.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.655 0.264 . . . . 0.0 111.035 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.1 m -92.16 -35.85 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.439 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.432 ' CZ ' ' HG2' ' A' ' 79' ' ' LYS . 25.2 m-85 -85.32 -27.12 26.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.059 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.88 33.87 7.15 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.733 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.414 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 4.3 m -123.98 168.17 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.733 0.301 . . . . 0.0 111.095 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -80.47 162.07 24.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.123 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.434 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 13.0 t80 -61.48 -25.26 67.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.764 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.65 15.04 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.41 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -100.83 -29.37 12.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.721 0.296 . . . . 0.0 110.799 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.456 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 28.0 mm -70.31 -67.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.446 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 11.5 m-30 -139.99 156.79 46.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.664 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -96.26 165.27 12.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.789 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.9 m -50.76 -39.68 52.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.7 p -73.14 -29.3 28.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.954 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.5 m -70.68 -48.95 52.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.28 -49.01 75.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.189 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -57.26 -31.31 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -64.07 -55.98 18.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.511 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.425 ' HG ' ' CD2' ' A' ' 66' ' ' LEU . 10.9 mp -55.72 -23.78 30.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.943 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.32 -63.38 1.41 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.453 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -47.01 -29.66 2.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.255 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.1 m -79.63 -45.23 19.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.44 30.37 17.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.991 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.2 m -139.11 127.89 23.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.831 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.02 84.77 6.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.793 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -125.29 144.71 48.4 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.964 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 2.9 Cg_exo -74.31 -54.81 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.611 2.207 . . . . 0.0 111.895 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -39.39 80.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.435 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 36.0 t -69.19 -32.43 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.49 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.453 ' HB3' ' CD2' ' A' ' 77' ' ' LEU . 17.3 mt -76.36 -29.23 57.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -37.17 85.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.807 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -71.91 -9.68 58.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.409 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.424 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 17.5 mm -64.83 139.64 21.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.771 0.319 . . . . 0.0 110.95 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.66 109.94 3.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.777 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.96 -28.33 11.39 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.47 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.401 HG22 ' CE1' ' A' ' 47' ' ' PHE . 24.8 t -82.99 128.03 39.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 111.136 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.71 -179.27 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -60.5 -49.09 78.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.787 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -58.62 -36.21 73.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -73.78 -33.3 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -86.12 -15.96 39.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.281 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -91.42 -29.66 16.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.432 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 1.3 ttpt -96.36 -58.21 2.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.374 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.456 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 27.7 m-85 -83.01 -26.72 30.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.483 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.28 -27.72 4.07 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.949 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.4 -27.97 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.758 0.313 . . . . 0.0 111.211 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.21 -59.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.272 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.413 HG12 ' CE2' ' A' ' 47' ' ' PHE . 2.3 m -49.08 -52.99 8.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.755 0.312 . . . . 0.0 111.339 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.415 ' HA ' HD13 ' A' ' 88' ' ' LEU . 17.4 mt -63.94 -33.09 59.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.21 -29.6 46.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.072 0.463 . . . . 0.0 110.384 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 5.4 t -90.59 -19.93 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.376 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.491 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.4 OUTLIER -87.6 -17.85 31.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.086 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -50.88 -36.35 37.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.0 0.429 . . . . 0.0 110.818 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -62.26 -46.94 86.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.782 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.491 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 1.2 m-85 -59.23 -38.34 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.64 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 t -57.41 -28.95 63.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.783 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 179.773 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.853 0.358 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -58.3 -42.42 86.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -79.2 -29.59 42.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.46 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 78.2 mmm -65.99 -47.57 74.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.451 ' HA ' HD21 ' A' ' 59' ' ' LEU . 11.2 m -65.35 -43.23 94.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.945 0.403 . . . . 0.0 111.289 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -59.39 -42.7 92.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.768 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.71 -29.81 65.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.874 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.426 ' HA ' ' OH ' ' A' ' 91' ' ' TYR . 18.7 t -69.9 -33.52 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -39.61 95.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.899 0.38 . . . . 0.0 110.411 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.64 -43.81 9.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.553 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -50.65 72.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.2 mt -59.5 -32.07 69.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.416 HG21 ' CZ ' ' A' ' 43' ' ' TYR . 75.0 m -59.17 -36.13 74.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.382 . . . . 0.0 110.484 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -68.14 -60.95 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.944 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.3 p -52.45 -35.8 20.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.216 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -57.68 -49.33 76.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.699 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 8.3 mttt -65.46 -46.18 80.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -55.32 -24.01 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.039 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.406 HD13 ' CD1' ' A' ' 80' ' ' TYR . 59.7 mt -87.27 -29.75 21.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.838 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.85 -26.54 64.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.628 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -28.36 43.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.813 0.34 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.5 m -86.87 -34.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.222 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 79' ' ' LYS . 20.6 m-85 -88.11 -26.39 22.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.22 27.99 11.35 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.613 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.9 m -118.52 163.25 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 111.013 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -78.26 162.16 26.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.993 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.417 ' CG ' ' HE2' ' A' ' 33' ' ' LYS . 9.8 t80 -58.6 -34.15 70.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.782 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -80.59 -1.84 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.546 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.08 -30.73 22.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.78 0.324 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.429 HD11 ' CZ ' ' A' ' 80' ' ' TYR . 35.8 mm -68.33 -67.39 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.4 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 11.0 m-30 -137.86 157.32 46.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.711 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -90.86 165.06 13.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.4 m -56.24 -37.96 70.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.85 -25.79 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.268 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 m -73.4 -44.45 58.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.0 mt -59.54 -48.12 82.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -59.68 -31.1 69.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -60.14 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.746 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.427 HD23 ' CD1' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -55.38 -23.0 22.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.324 179.625 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.24 -47.21 13.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.978 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.75 -30.53 61.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.8 p -85.49 -50.3 7.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.493 HD12 ' CG ' ' A' ' 91' ' ' TYR . 0.0 OUTLIER 62.32 48.28 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.98 124.96 19.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.682 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.99 84.45 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 111.085 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.531 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -125.55 155.99 71.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.332 179.446 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -88.09 -48.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.647 2.232 . . . . 0.0 112.889 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -76.59 -33.83 58.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.39 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.5 t -57.0 -23.73 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.286 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 1.7 mt -91.17 -43.68 9.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.958 0.409 . . . . 0.0 110.634 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.9 tt -49.83 -38.47 35.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.355 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -71.17 -20.14 62.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.4 mm -65.63 134.8 29.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.688 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -53.99 110.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.073 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.23 -27.0 7.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.678 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 t -85.15 148.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.16 -177.06 5.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -68.31 -19.07 64.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.252 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -90.13 -47.22 7.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.767 0.318 . . . . 0.0 111.192 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -57.24 -41.84 80.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.131 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -76.26 -11.37 59.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.377 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -87.13 -46.3 9.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.665 0.269 . . . . 0.0 111.526 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 7.7 ptmt -91.37 -46.69 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.596 -179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.429 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 19.8 m-85 -82.67 -25.12 33.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.273 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.76 -47.87 24.21 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.778 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.37 -23.59 57.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 111.262 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -95.38 -61.95 1.38 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.159 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.96 -58.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.276 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.4 mt -55.47 -28.55 22.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -33.52 67.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.96 0.41 . . . . 0.0 110.297 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.6 t -90.82 -19.67 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.415 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.527 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -85.73 -15.31 42.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.928 -179.437 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -57.08 -32.22 66.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.939 0.4 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -67.18 -25.17 66.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.382 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.527 ' CE2' ' HA ' ' A' ' 88' ' ' LEU . 2.6 m-30 -78.07 -38.48 44.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.743 0.306 . . . . 0.0 111.171 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.4 t -63.84 -29.16 70.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.476 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.766 0.317 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.03 -36.5 75.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.013 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.98 -29.19 55.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.026 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.413 ' CB ' HD11 ' A' ' 59' ' ' LEU . 83.1 mmm -73.7 -48.77 29.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.989 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.7 m -57.85 -42.91 83.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.885 0.374 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -62.59 -41.27 98.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.653 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -30.45 69.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.75 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.24 -38.17 87.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.567 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.1 -43.03 99.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.24 -47.04 13.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.854 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -58.73 -51.88 68.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.324 . . . . 0.0 111.125 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.74 -32.26 65.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.417 HG21 ' CZ ' ' A' ' 43' ' ' TYR . 85.3 m -59.64 -40.74 88.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.887 0.375 . . . . 0.0 110.469 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -61.31 -59.32 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.742 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.7 p -54.04 -36.61 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.5 m -58.56 -55.15 38.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -57.47 -48.44 79.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.049 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -55.34 -27.66 48.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.426 HD11 ' CD1' ' A' ' 80' ' ' TYR . 31.6 mt -82.03 -29.47 31.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.403 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -76.32 -24.79 67.46 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.749 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -78.32 -30.53 48.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.804 0.335 . . . . 0.0 111.002 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.1 m -80.08 -34.77 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.283 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.421 ' CE1' ' HD2' ' A' ' 79' ' ' LYS . 30.3 m-85 -90.46 -26.82 19.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.19 26.32 14.45 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.532 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.403 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 30.2 m -111.69 175.08 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.021 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -87.9 161.88 17.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.02 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.417 ' CZ ' HG21 ' A' ' 29' ' ' THR . 11.6 t80 -56.65 -35.53 68.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.761 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -73.19 -27.74 61.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -58.35 -38.83 78.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.43 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 33.5 mm -65.59 -67.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.955 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.421 ' CG ' HG21 ' A' ' 51' ' ' THR . 6.2 m-30 -139.9 151.92 46.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.716 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -97.27 165.3 12.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.757 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.9 m -51.47 -30.64 20.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.2 m -71.21 -30.47 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.271 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.421 HG21 ' CG ' ' A' ' 47' ' ' PHE . 87.2 m -72.17 -58.36 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mt -51.24 -49.69 60.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.322 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -58.29 -36.5 73.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.809 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.31 -60.06 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.803 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.492 ' HG ' ' CD2' ' A' ' 66' ' ' LEU . 0.5 OUTLIER -56.42 -22.45 31.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.587 179.775 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.37 -53.6 9.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.709 0.29 . . . . 0.0 111.051 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -45.25 87.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -53.75 53.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.413 HD11 ' CB ' ' A' ' 20' ' ' MET . 0.4 OUTLIER 67.05 42.06 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 m -139.27 139.22 37.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.1 p -95.52 84.47 3.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.831 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.529 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -125.4 156.81 69.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.83 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -88.49 -48.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 122.673 2.249 . . . . 0.0 112.735 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -40.54 70.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 110.826 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.1 t -54.96 -27.19 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.895 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 56.2 mt -88.81 -23.89 22.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.323 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.97 -36.45 81.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.933 0.396 . . . . 0.0 110.695 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -78.24 -18.47 55.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.481 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.46 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 17.5 mm -63.65 144.1 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.93 0.395 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.26 128.14 35.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.0 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.56 -25.6 23.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.747 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.407 HG22 ' CE1' ' A' ' 47' ' ' PHE . 21.9 t -93.56 117.75 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 111.089 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.1 p -106.05 -171.0 1.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -70.52 -45.23 65.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.9 -31.16 71.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.04 -37.77 78.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.475 HD23 ' CD1' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -82.22 -15.99 51.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.347 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.1 -30.35 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.848 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HD2' ' CE1' ' A' ' 39' ' ' PHE . 27.1 ttpt -96.7 -57.71 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.233 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.43 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 25.4 m-85 -80.02 -24.57 40.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.511 -179.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.52 -33.07 11.24 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.76 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.93 -24.43 65.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.32 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.15 -61.76 1.39 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.129 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.415 HG12 ' CE2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -47.96 -58.18 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.328 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.434 ' HA ' ' HB2' ' A' ' 88' ' ' LEU . 19.3 mt -54.54 -25.99 15.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -34.8 75.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.023 0.439 . . . . 0.0 110.132 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.5 t -90.89 -22.52 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.412 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.478 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -78.99 -27.51 43.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.627 -179.48 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -47.33 -30.66 3.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.955 0.407 . . . . 0.0 111.161 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -68.06 -46.6 70.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.518 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.478 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 1.1 m-30 -58.93 -39.42 81.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.661 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.76 -27.27 67.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.701 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 179.894 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.767 0.318 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -60.05 -39.73 86.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.69 -32.24 62.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.778 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -52.74 62.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.956 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.404 ' HA ' ' CD2' ' A' ' 59' ' ' LEU . 4.5 m -63.21 -35.11 70.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.85 0.357 . . . . 0.0 111.083 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -62.53 -57.83 9.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.577 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -57.2 -28.44 62.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.664 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.414 ' HA ' ' OH ' ' A' ' 91' ' ' TYR . 25.6 t -64.6 -44.83 89.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.575 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.47 -33.65 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.673 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.01 -47.42 8.48 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.562 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.64 -51.96 67.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.791 0.329 . . . . 0.0 110.974 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.52 -33.66 66.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 80.5 m -60.12 -31.89 70.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.36 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.0 -58.36 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.608 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.6 p -55.95 -34.14 37.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.1 m -57.12 -48.66 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.634 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' HE2' ' CD2' ' A' ' 43' ' ' TYR . 11.1 mttt -66.88 -42.4 85.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.743 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.7 m -57.57 -31.62 66.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.772 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.415 HD11 ' CD1' ' A' ' 80' ' ' TYR . 59.9 mt -76.76 -27.88 55.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.82 -19.84 79.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.727 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -90.12 -30.34 17.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 111.229 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.8 m -85.35 -29.63 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.362 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.42 ' CZ ' ' HG2' ' A' ' 79' ' ' LYS . 35.0 m-85 -96.28 -27.11 15.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.076 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.22 34.98 6.17 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.677 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.9 m -126.27 159.75 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.53 162.1 27.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.412 ' CD2' ' HE2' ' A' ' 33' ' ' LYS . 11.6 t80 -58.79 -25.15 62.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.048 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -91.48 15.32 12.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.353 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.09 -28.28 11.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.753 0.311 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.455 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 28.1 mm -70.89 -67.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.427 ' CE1' HG21 ' A' ' 72' ' ' VAL . 14.7 m-30 -137.94 166.25 24.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -100.51 165.19 11.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.0 m -53.92 -45.62 71.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.63 -25.36 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.3 m -72.49 -49.61 31.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.027 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.6 mt -56.65 -48.22 78.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.024 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.92 -26.49 62.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.919 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -66.09 -57.84 6.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.793 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 66' ' ' LEU . 1.9 mp -53.96 -25.32 20.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.272 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.452 ' O ' HD21 ' A' ' 59' ' ' LEU . . . -82.76 -51.03 8.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.304 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -47.27 -28.88 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.1 t -91.85 -45.75 8.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.452 HD21 ' O ' ' A' ' 56' ' ' ALA . 0.2 OUTLIER 66.43 45.88 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.027 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -139.04 136.37 35.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.726 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.01 84.04 3.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.937 0.399 . . . . 0.0 111.101 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.586 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -126.07 154.44 74.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.319 179.324 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -79.73 -46.47 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.737 2.291 . . . . 0.0 112.5 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.15 -36.7 74.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.351 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.0 t -55.15 -59.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.437 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 5.8 mt -57.64 -28.27 63.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.11 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -41.8 88.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.053 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -71.96 -17.68 62.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.395 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.476 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 23.5 mm -63.95 133.02 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 111.061 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -60.03 127.13 30.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.42 -28.37 15.76 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.427 HG21 ' CE1' ' A' ' 47' ' ' PHE . 25.0 t -91.47 116.92 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 111.086 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.6 p -106.61 -178.12 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.81 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -30.13 70.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -78.18 -33.86 49.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -69.01 -31.71 70.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.493 ' CD2' ' HB2' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -88.58 -16.53 32.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.15 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -91.24 -29.32 17.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.351 . . . . 0.0 111.064 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.42 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -96.52 -52.15 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.458 -179.754 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.455 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 27.7 m-85 -88.63 -24.86 22.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.525 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.433 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -47.5 -30.51 6.27 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.812 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.99 -29.0 67.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.756 0.312 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -92.87 -60.36 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.057 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.88 -63.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.21 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.0 mt -50.8 -26.7 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.269 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -60.37 -33.44 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.039 0.447 . . . . 0.0 110.273 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.3 t -90.66 -19.71 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.195 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.522 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -88.24 -12.82 42.63 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -179.181 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -54.42 -34.01 60.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.888 0.375 . . . . 0.0 111.106 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -67.26 -31.5 71.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 7.4 m-30 -65.83 -53.1 44.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.5 t -54.79 -30.25 56.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.801 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 ptt-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.721 0.296 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -60.31 -40.32 90.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.055 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -81.99 -29.81 31.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.403 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -66.82 -44.28 81.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.4 ' HA ' ' CD2' ' A' ' 59' ' ' LEU . 10.2 m -68.81 -44.4 81.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.184 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -44.43 95.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.034 0.445 . . . . 0.0 110.699 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -56.44 -30.47 62.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.708 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.4 t -69.66 -31.22 69.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.709 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -43.08 96.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.58 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.78 -43.7 14.03 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.437 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.26 -49.62 76.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.422 ' HA ' HG12 ' A' ' 31' ' ' VAL . 12.2 mt -59.82 -29.87 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.681 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.6 m -60.22 -37.24 79.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.109 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.87 -60.08 3.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.568 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 28' ' ' LEU . 2.8 p -50.49 -38.12 15.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.835 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.0 m -60.16 -51.16 70.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.579 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 6.0 mttt -61.12 -50.84 71.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.804 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.2 m -53.09 -29.18 29.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 52.3 mt -78.47 -24.37 46.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -80.81 -27.15 51.65 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.737 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -82.18 -31.92 30.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 111.12 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.6 m -79.36 -34.43 16.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.275 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.416 ' CZ ' ' HG2' ' A' ' 79' ' ' LYS . 34.6 m-85 -95.72 -27.14 15.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.028 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.04 26.7 13.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.4 m -112.93 158.11 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 111.068 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -70.14 162.4 28.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.056 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.412 ' CG ' ' HE2' ' A' ' 33' ' ' LYS . 7.8 t80 -61.65 -47.49 85.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.756 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -64.04 -29.15 70.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.36 -30.39 69.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.422 HD13 ' CE1' ' A' ' 80' ' ' TYR . 34.3 mm -67.32 -67.12 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.42 ' CG ' HG23 ' A' ' 51' ' ' THR . 12.9 m-30 -137.85 177.19 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -121.07 165.37 15.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.808 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -50.97 -34.78 30.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.144 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.5 m -71.13 -28.53 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.42 HG23 ' CG ' ' A' ' 47' ' ' PHE . 99.3 m -73.89 -54.77 7.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.8 mt -55.57 -48.62 74.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.143 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -58.64 -36.19 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.074 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -59.95 2.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.951 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.11 -23.54 21.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.203 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.88 -46.68 10.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.27 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -55.07 -29.52 57.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.086 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.0 -46.39 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.823 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.465 HD13 ' CG ' ' A' ' 91' ' ' TYR . 0.0 OUTLIER 63.98 52.67 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.115 0.483 . . . . 0.0 110.853 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 t -139.13 136.67 35.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.474 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.3 p -89.16 83.99 6.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.043 0.449 . . . . 0.0 111.304 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.506 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 88.6 m-20 -126.19 139.54 34.73 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.323 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 5.5 Cg_exo -76.61 -48.56 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.567 2.178 . . . . 0.0 112.451 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -69.28 -37.45 77.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.397 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.439 ' CG2' ' CB ' ' A' ' 62' ' ' ASP . 97.9 t -53.78 -44.66 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.604 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 1.6 mt -62.98 -34.54 77.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 110.49 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -40.8 69.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.146 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -71.6 -18.39 62.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.423 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 31.0 mm -68.84 135.86 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.22 127.96 34.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.81 -26.79 23.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.621 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.4 t -89.98 139.45 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 111.111 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.2 p -132.33 178.92 6.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.44 -38.41 87.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -68.61 -48.09 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -31.43 72.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 66' ' ' LEU . 0.5 OUTLIER -85.02 -22.13 29.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -85.19 -28.79 25.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.682 0.277 . . . . 0.0 111.248 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.416 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -96.16 -51.31 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 111.323 -179.787 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.422 ' CE1' HD13 ' A' ' 46' ' ' ILE . 22.1 m-85 -83.33 -13.0 55.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.603 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.4 ' HA2' ' CG2' ' A' ' 84' ' ' VAL . . . -53.38 -38.44 57.48 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.779 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.26 -28.57 69.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.699 0.285 . . . . 0.0 111.35 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.37 -57.84 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.457 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.415 HG23 HG12 ' A' ' 85' ' ' ILE . 33.2 m -47.24 -44.92 8.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.971 0.415 . . . . 0.0 111.54 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.415 HG12 HG23 ' A' ' 84' ' ' VAL . 2.0 mm -70.06 -25.94 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.295 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.9 t -59.71 -32.72 70.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.384 . . . . 0.0 110.5 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.2 t -90.46 -29.06 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.189 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.516 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -73.58 -22.85 59.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.426 -179.55 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -54.13 -25.11 20.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.702 0.287 . . . . 0.0 111.182 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -73.35 -29.62 62.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.168 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.516 ' CE2' ' HA ' ' A' ' 88' ' ' LEU . 2.0 m-30 -72.32 -53.28 12.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.079 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -57.96 -22.98 51.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.338 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.385 -179.813 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.897 0.379 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -35.39 78.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.65 -31.4 65.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.9 mtp -59.45 -57.16 14.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.8 m -59.19 -35.07 55.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.227 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -64.28 -61.67 2.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.595 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -54.12 -28.7 41.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.576 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.4 t -63.72 -44.63 93.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.382 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -36.48 69.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.709 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.21 -41.08 22.59 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.598 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -62.22 -54.33 42.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.347 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.7 -28.23 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.8 m -61.81 -42.75 99.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.4 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -61.0 -58.47 8.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.73 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.1 p -53.93 -38.01 35.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.977 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.4 m -58.97 -49.28 78.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -64.02 -45.23 89.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.898 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.1 m -56.2 -33.84 65.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.9 mt -73.43 -23.9 60.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.99 -45.16 27.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.789 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -64.47 -22.54 66.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.69 0.281 . . . . 0.0 111.403 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.3 m -92.18 -35.64 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.538 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CZ ' ' HG2' ' A' ' 79' ' ' LYS . 48.4 m-85 -100.41 17.48 21.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.319 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.02 25.12 9.49 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.063 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.9 m -112.49 149.7 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.059 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -71.38 162.29 29.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.288 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -54.68 -53.79 50.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.971 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -25.22 63.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.067 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -59.1 -42.89 91.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.447 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 46.7 mm -60.69 -67.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.99 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 16.5 m-30 -137.11 -179.88 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -118.34 165.05 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.643 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 m -54.76 -41.72 70.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.17 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.9 p -73.14 -26.83 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.335 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 m -73.76 -48.47 31.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.6 mt -57.05 -46.17 82.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.966 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -59.83 -29.74 68.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.816 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -63.16 -57.58 10.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.801 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.436 ' CG ' HD22 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -57.63 -25.31 59.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.324 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.445 ' O ' HD21 ' A' ' 59' ' ' LEU . . . -81.33 -50.02 10.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.014 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -48.65 -28.35 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.98 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.6 -44.77 8.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.726 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.457 HD13 ' CG ' ' A' ' 91' ' ' TYR . 0.2 OUTLIER 67.11 49.0 1.14 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.716 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -139.17 148.98 43.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.743 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.9 p -103.07 84.54 2.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 111.059 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.526 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 2.3 m-20 -125.63 155.11 72.8 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.805 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -89.24 -51.08 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.882 2.388 . . . . 0.0 112.806 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -40.34 78.07 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.773 0.321 . . . . 0.0 111.04 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.9 t -52.43 -26.29 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.723 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 25.5 mt -86.24 -29.68 22.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.042 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.41 -35.15 65.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.338 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.61 -21.53 44.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.108 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.467 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 17.3 mm -63.71 134.4 28.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.87 0.367 . . . . 0.0 110.961 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.47 116.78 7.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.981 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.21 -27.32 9.61 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.628 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.07 122.15 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 111.232 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.6 p -112.19 -177.41 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -66.62 -29.6 69.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -78.15 -34.97 49.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -71.33 -36.94 71.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.048 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.449 ' CD2' ' CD1' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -82.91 -11.85 57.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -91.15 -32.76 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.788 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.417 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -96.63 -48.28 5.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.263 -179.733 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.447 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 26.0 m-85 -87.29 -23.85 24.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.642 -179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.95 -27.09 4.74 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.949 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.58 -25.64 59.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.737 0.303 . . . . 0.0 111.164 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.18 -58.68 2.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.263 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.1 m -48.99 -54.34 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.506 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.409 HG22 HD12 ' A' ' 85' ' ' ILE . 23.4 mt -60.16 -26.03 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.5 t -59.98 -33.83 72.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.037 0.446 . . . . 0.0 110.322 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.8 t -90.68 -19.81 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.446 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.507 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -84.99 -21.95 29.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.759 -179.312 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -50.69 -32.66 20.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.898 0.38 . . . . 0.0 111.026 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -67.5 -30.93 70.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.507 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 8.2 m-30 -66.93 -53.44 31.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.8 t -54.26 -30.13 49.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.748 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.797 0.332 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.1 -29.5 61.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.434 ' HA ' ' CE ' ' A' ' 22' ' ' LYS . 6.9 tt0 -75.55 -22.27 57.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.34 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 60.0 mmm -82.95 -33.05 26.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.305 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.449 ' CG2' ' N ' ' A' ' 22' ' ' LYS . 1.5 m -73.59 -46.83 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.537 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.449 ' N ' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -65.12 -40.03 93.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.776 0.322 . . . . 0.0 110.676 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -31.16 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.467 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 59' ' ' LEU . 4.8 t -69.34 -34.78 75.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.51 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -40.9 93.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.764 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.23 -42.0 20.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.692 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -50.95 70.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.42 -27.75 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.024 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 90.6 m -62.69 -44.03 97.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.918 0.39 . . . . 0.0 110.387 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.55 -58.11 9.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.805 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 p -50.94 -42.94 24.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.17 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.7 m -60.07 -49.81 76.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 27.1 mttt -59.69 -51.02 71.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.2 t -55.75 -30.57 61.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.423 HD13 ' CD1' ' A' ' 80' ' ' TYR . 52.0 mt -75.47 -26.17 57.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.824 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -80.69 -30.87 38.12 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.605 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.75 -27.35 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 0.0 110.985 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.9 m -86.81 -33.57 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.312 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.42 ' CE1' ' HE2' ' A' ' 79' ' ' LYS . 24.2 m-85 -94.02 -26.64 16.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.19 26.3 14.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.705 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.409 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 16.6 m -113.36 158.39 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.92 0.391 . . . . 0.0 111.053 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -70.09 162.0 29.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.406 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 12.7 t80 -61.17 -34.49 75.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.794 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -76.52 -28.34 56.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.003 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -58.07 -30.84 66.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.452 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 33.7 mm -70.57 -67.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.014 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.436 ' CD1' HG23 ' A' ' 51' ' ' THR . 9.1 m-30 -138.43 150.76 46.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -93.93 165.21 12.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.837 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 m -51.78 -34.8 41.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.1 m -69.88 -28.49 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.436 HG23 ' CD1' ' A' ' 47' ' ' PHE . 86.9 m -72.15 -59.18 2.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.4 mt -50.53 -47.88 57.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.223 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -35.23 74.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.746 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -56.77 8.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.69 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.49 ' HG ' ' CD2' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -60.78 -18.86 57.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.513 179.575 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.91 -54.49 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.327 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.54 -29.79 27.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.127 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.2 p -89.04 -52.6 4.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.486 HD11 ' CG ' ' A' ' 91' ' ' TYR . 0.1 OUTLIER 66.31 52.42 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.058 0.456 . . . . 0.0 110.81 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.16 134.68 33.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.585 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.39 84.58 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.128 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.509 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -125.69 155.1 72.98 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.681 179.433 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -88.8 -48.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.803 2.335 . . . . 0.0 112.825 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.25 -40.74 67.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.7 t -54.17 -25.89 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 29.4 mt -84.19 -29.92 26.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.91 -37.19 78.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.934 0.397 . . . . 0.0 110.861 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -75.01 -19.07 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.364 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.411 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 24.8 mm -63.96 137.78 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.907 0.384 . . . . 0.0 111.054 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.5 128.53 36.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.76 -27.88 14.48 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.529 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 t -86.23 133.19 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.323 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.6 p -129.39 -178.27 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -62.93 -32.32 73.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -74.17 -36.33 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.023 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -31.88 63.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.502 HD22 ' CD1' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -86.71 -19.88 28.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.077 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -91.26 -30.25 16.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.711 0.291 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.42 ' HE2' ' CE1' ' A' ' 39' ' ' PHE . 9.5 tttt -96.06 -58.26 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.345 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.452 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 27.5 m-85 -83.74 -6.6 59.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.595 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.9 -47.64 87.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.745 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.76 -26.29 33.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.639 0.257 . . . . 0.0 111.627 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.19 -61.35 1.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.702 0.287 . . . . 0.0 111.467 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.8 m -47.44 -45.53 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-O 120.859 0.361 . . . . 0.0 111.314 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.3 mm -65.94 -30.22 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.219 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -57.62 -32.21 67.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.917 0.389 . . . . 0.0 110.464 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.0 t -90.42 -22.15 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.262 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.509 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.4 OUTLIER -78.77 -28.87 44.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.522 -179.638 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -49.68 -28.14 5.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -72.24 -30.3 64.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.016 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.509 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 3.4 m-30 -73.03 -45.17 59.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.047 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.9 m -62.26 -25.22 67.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.51 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.585 0.231 . . . . 0.0 111.438 -179.566 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.715 0.293 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.28 -44.86 90.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.64 -24.83 53.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.416 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 78.6 mmm -70.66 -44.58 66.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.472 ' HA ' HD21 ' A' ' 59' ' ' LEU . 9.4 m -67.53 -38.58 80.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.395 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -51.08 68.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.996 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.07 -27.7 34.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.174 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.404 ' HB2' ' CD2' ' A' ' 59' ' ' LEU . 17.3 t -70.9 -38.3 72.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.099 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.49 -37.05 82.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.865 0.364 . . . . 0.0 110.729 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.79 -49.29 7.21 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.721 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -58.35 -47.35 84.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.337 . . . . 0.0 110.988 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.3 -30.91 69.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.07 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.0 m -59.96 -44.59 94.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.814 0.34 . . . . 0.0 110.454 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -59.56 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.815 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 p -52.77 -38.36 27.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -58.0 -53.98 52.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -60.08 -46.89 88.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.927 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 m -54.61 -29.76 52.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.3 mt -81.2 -21.04 39.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.048 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.414 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -83.87 -38.08 10.84 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.766 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -22.14 60.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.722 0.296 . . . . 0.0 111.185 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m -90.51 -32.19 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.439 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -96.35 -22.06 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.175 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.4 23.4 21.83 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.77 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.414 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 29.3 m -115.07 149.46 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.72 161.81 19.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.195 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -56.43 -53.23 59.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.821 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.7 -26.38 65.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.987 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -36.44 72.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.999 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.454 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 34.8 mm -66.12 -67.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.065 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.424 ' CG ' HG23 ' A' ' 51' ' ' THR . 11.8 m-30 -137.67 143.79 41.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.65 165.33 21.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.756 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m -51.28 -47.41 62.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.063 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.9 p -70.7 -21.83 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.283 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.424 HG23 ' CG ' ' A' ' 47' ' ' PHE . 25.6 m -73.12 -51.13 19.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.104 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.17 -51.02 71.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.036 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -54.27 -27.82 37.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.886 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -66.59 -59.07 3.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.554 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.427 ' HG ' ' CD2' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -58.06 -21.76 47.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.286 179.345 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.74 -49.76 11.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.55 -33.81 64.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -83.49 -50.35 8.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.485 HD13 ' CG ' ' A' ' 91' ' ' TYR . 0.0 OUTLIER 63.96 49.12 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.903 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -139.0 124.85 19.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.729 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.59 84.7 5.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.096 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.519 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -125.39 156.16 70.61 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.593 179.703 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -88.94 -50.42 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.754 2.302 . . . . 0.0 112.953 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -39.42 67.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.721 0.296 . . . . 0.0 111.381 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.7 t -53.09 -25.31 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 25.6 mt -85.52 -30.37 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -36.71 71.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.737 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -75.29 -21.27 58.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.449 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 20.6 mm -63.89 142.74 16.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.88 0.371 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -66.81 131.05 45.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.91 -34.93 4.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.575 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.8 t -79.37 137.74 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.811 0.338 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 p -133.1 -177.6 4.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -32.63 72.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.147 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -77.36 -29.54 53.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.186 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.96 -31.44 22.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.451 HD21 ' CD1' ' A' ' 66' ' ' LEU . 1.1 tm? -81.54 -27.01 34.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -86.3 -23.79 26.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -96.06 -54.68 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.221 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.454 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 24.1 m-85 -82.26 -23.84 35.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.412 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -47.04 -28.98 4.35 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.982 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.57 -27.74 64.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.74 0.305 . . . . 0.0 111.345 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -95.98 -59.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.202 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.2 m -48.19 -54.29 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.429 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.401 HD12 HG23 ' A' ' 85' ' ' ILE . 21.7 mt -58.23 -28.36 34.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -33.66 70.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.024 0.44 . . . . 0.0 110.292 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.1 t -90.66 -19.94 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.495 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.51 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -85.18 -19.16 32.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.299 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.83 -28.94 53.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.858 0.361 . . . . 0.0 111.052 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -69.96 -30.04 67.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.313 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.51 ' CE2' ' HA ' ' A' ' 88' ' ' LEU . 3.4 m-30 -70.95 -52.62 18.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 0.0 110.984 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.0 p -55.23 -25.94 36.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.175 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.844 0.354 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.48 -29.92 66.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -75.66 -26.97 58.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 73.6 mmm -74.68 -50.37 17.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.067 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.3 m -55.9 -43.64 75.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.888 0.375 . . . . 0.0 110.882 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -63.31 -40.38 97.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.083 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -31.61 71.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.495 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 t -62.54 -39.8 94.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.211 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.25 -35.32 78.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.673 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.45 -56.99 3.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.693 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -54.4 -41.94 69.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.334 . . . . 0.0 111.062 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.427 ' CD2' HG23 ' A' ' 84' ' ' VAL . 16.2 mt -63.58 -30.61 71.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.4 m -62.62 -32.8 73.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.5 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.06 -58.26 4.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.797 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -54.15 -30.83 20.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.92 0.39 . . . . 0.0 111.07 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.5 m -65.26 -39.93 93.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.57 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HE2' ' CD1' ' A' ' 43' ' ' TYR . 10.8 mttt -74.57 -44.94 48.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.811 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 m -55.88 -33.21 64.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.814 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.1 mt -74.09 -28.34 61.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.693 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.403 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -78.73 -35.84 30.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.547 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -74.85 -27.87 60.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.726 0.298 . . . . 0.0 111.038 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.8 m -84.4 -45.35 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.434 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.408 ' CE2' ' HE3' ' A' ' 79' ' ' LYS . 47.2 m-85 -86.43 -26.23 24.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.28 25.39 16.56 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.717 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.403 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 15.8 m -109.53 152.75 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.983 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -60.87 160.44 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.197 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.416 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 11.3 t80 -59.59 -51.28 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.715 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -66.13 -17.46 64.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.235 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -30.13 67.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.238 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.443 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 15.8 mm -75.4 -67.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.251 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 22.7 m-85 -139.82 158.32 44.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -93.99 165.2 12.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.3 m -56.05 -39.7 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.1 p -74.1 -24.69 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.2 m -74.51 -48.34 27.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.099 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.1 mt -58.82 -46.42 87.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -58.95 -32.77 69.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.955 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -58.54 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.71 -22.07 44.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.364 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.44 -55.16 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.262 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.74 -32.55 59.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.5 p -75.35 -46.5 32.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.768 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.95 41.98 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.04 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 p -139.15 135.32 33.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.772 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.1 t -93.99 85.3 4.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.529 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.4 m-20 -124.65 156.48 68.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.673 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -87.83 -47.33 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.87 2.38 . . . . 0.0 113.058 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.9 -40.58 60.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.4 t -50.42 -26.26 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.15 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 3.8 mt -88.05 -30.85 19.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.725 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.24 -37.09 54.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -77.33 -23.97 50.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.885 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.436 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 18.5 mm -63.64 136.26 26.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -65.28 127.81 33.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 104.56 -32.83 7.1 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 t -83.33 138.15 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.1 -176.58 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -69.41 -30.83 68.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -77.6 -35.33 52.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -71.05 -39.9 71.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.408 ' CD2' ' CD1' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -82.7 -11.92 57.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.318 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -84.14 -41.47 17.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.756 0.312 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.408 ' HE3' ' CE2' ' A' ' 39' ' ' PHE . 21.8 ttpt -93.43 -57.95 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.092 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.434 ' CE1' HD13 ' A' ' 46' ' ' ILE . 12.2 m-85 -70.96 -11.32 60.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.294 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.81 -14.29 36.53 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.096 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.5 -25.66 15.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.936 0.368 . . . . 0.0 111.687 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.57 -69.89 0.74 Allowed 'General case' 0 C--O 1.233 0.228 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.427 HG23 ' CD2' ' A' ' 28' ' ' LEU . 7.2 p -53.75 -32.78 21.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.719 -179.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.1 mm -72.01 -33.37 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.518 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 t -57.93 -30.31 65.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.146 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.5 t -82.11 -21.3 9.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.892 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.485 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -84.51 -25.05 29.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.436 -179.658 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -51.48 -31.81 24.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 110.738 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -65.17 -45.04 86.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.755 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.485 ' CE2' ' HA ' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -60.49 -38.48 84.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.527 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.2 t -58.41 -30.34 66.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.856 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.995 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.136 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 pt -110.8 83.64 3.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.73 0.3 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.55 152.18 59.48 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.517 2.145 . . . . 0.0 112.333 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -105.07 123.06 47.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -126.78 171.49 11.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt 69.29 10.75 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.417 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 46.57 -166.25 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.808 0.337 . . . . 0.0 111.303 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.38 -60.74 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.795 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.07 90.31 3.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.045 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 mp -70.11 137.91 51.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -175.18 107.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.024 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 59.85 174.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -147.48 -66.45 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.28 73.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.1 -52.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -69.37 -34.32 74.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -37.48 81.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.79 -43.64 94.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -20.24 59.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.044 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.409 ' CB ' HD11 ' A' ' 59' ' ' LEU . 67.5 mmm -79.07 -42.52 26.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.214 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.403 ' N ' HD11 ' A' ' 59' ' ' LEU . 5.7 m -65.88 -36.51 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 110.773 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -63.69 -46.87 83.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.479 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -32.11 67.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.617 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.39 -37.58 87.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.3 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.08 -40.19 92.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.654 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.28 -53.77 5.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.671 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -46.74 71.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.78 0.324 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 mt -59.59 -30.57 68.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 m -59.31 -47.47 85.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.549 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -58.42 -59.94 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.1 p -51.62 -40.41 25.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.2 m -59.93 -51.02 71.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.731 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -59.43 -48.7 80.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.764 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 m -57.4 -30.47 64.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.2 mt -75.97 -30.15 58.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -72.97 -46.96 26.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.595 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -59.96 -24.07 64.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.66 0.267 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.85 -34.19 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.443 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.411 ' CE1' ' HE3' ' A' ' 79' ' ' LYS . 22.0 m-85 -96.22 18.0 14.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.331 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.97 39.42 40.59 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.996 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.409 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 5.6 m -132.99 162.33 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.897 0.379 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.41 162.39 23.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.214 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -52.72 -54.57 31.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.033 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -58.86 -23.28 60.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -63.91 -29.83 70.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.113 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.417 HD13 ' CE1' ' A' ' 80' ' ' TYR . 29.9 mm -71.86 -67.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.259 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.428 ' CD1' HG22 ' A' ' 51' ' ' THR . 8.3 m-30 -138.19 143.88 40.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -84.68 165.35 17.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.8 m -49.09 -43.83 41.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.106 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 m -63.09 -30.04 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.428 HG22 ' CD1' ' A' ' 47' ' ' PHE . 99.1 m -75.39 -50.03 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 mt -52.8 -45.88 67.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.048 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -66.54 -36.38 82.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.767 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.401 ' HB3' ' CD1' ' A' ' 69' ' ' ILE . 0.1 OUTLIER -60.93 -55.78 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.776 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' CD1' HD21 ' A' ' 66' ' ' LEU . 6.3 mp -53.0 -25.3 11.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.103 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.71 -59.08 2.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.618 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -44.54 -30.19 0.85 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.218 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 t -90.57 -41.45 11.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.661 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.445 HD21 ' CG ' ' A' ' 91' ' ' TYR . 8.0 mt 59.45 26.28 15.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 m -122.18 121.19 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.32 84.32 7.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.785 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.423 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -125.25 147.76 58.5 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.785 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 4.6 Cg_exo -75.78 -43.47 0.34 Allowed 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.516 2.144 . . . . 0.0 112.153 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.19 -35.59 61.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.0 t -68.72 -43.38 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.973 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 36.3 mt -73.69 -17.87 61.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.252 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.06 -36.34 64.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.88 0.372 . . . . 0.0 110.866 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.35 -3.68 34.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.712 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 54' ' ' LYS . 26.3 mm -63.72 145.81 13.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.845 0.355 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -65.31 114.74 4.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.031 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.68 -34.83 5.42 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.637 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.414 HG23 ' CE1' ' A' ' 47' ' ' PHE . 35.2 t -72.83 140.77 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.927 0.394 . . . . 0.0 111.218 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.5 p -131.84 -178.52 4.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.764 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -62.76 -29.77 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -77.22 -28.73 53.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -81.32 -33.97 32.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.04 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.412 ' CD2' ' CB ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -81.08 -20.47 41.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -91.17 -29.3 17.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HE3' ' CE1' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -96.47 -58.17 2.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.305 -179.667 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.417 ' CE1' HD13 ' A' ' 46' ' ' ILE . 24.3 m-85 -81.48 -28.0 34.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.423 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.03 -43.92 18.16 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.894 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.61 -27.82 63.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.712 0.291 . . . . 0.0 111.23 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.28 -60.95 1.51 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.273 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -50.69 -44.9 26.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.522 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.0 mt -67.98 -29.84 46.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.691 0.282 . . . . 0.0 110.9 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.4 t -56.3 -30.67 62.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.034 0.445 . . . . 0.0 110.318 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.73 -19.51 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.416 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.528 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -87.01 -21.11 26.33 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.205 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.51 -36.61 55.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.0 0.428 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -59.93 -45.21 93.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.528 ' CE2' ' HA ' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -60.21 -39.6 87.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.55 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.21 -29.5 58.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.747 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.95 -27.81 24.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.895 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -84.23 -30.26 25.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 t -71.51 -40.18 70.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.095 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -84.17 152.16 61.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.93 170.02 18.99 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.625 2.217 . . . . 0.0 112.347 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 59.46 164.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -157.58 75.74 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.28 163.97 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.906 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.1 pt -109.21 98.0 28.81 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-O 120.589 0.233 . . . . 0.0 111.147 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.53 -172.59 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.473 2.116 . . . . 0.0 112.266 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.28 133.84 55.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -126.46 147.81 49.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.21 140.25 58.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -83.32 126.56 32.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 175.74 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.26 93.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mt -96.64 164.92 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.1 m -113.78 145.56 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.69 -48.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.29 156.87 18.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.48 44.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.18 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.6 p -103.74 -39.67 6.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -68.34 -35.76 78.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.804 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.66 -50.01 75.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.34 -30.38 68.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -78.26 -30.3 48.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.0 mmm -73.63 -47.83 37.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.5 m -58.24 -41.81 81.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -60.96 -40.52 93.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.558 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -59.56 -30.44 68.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.595 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.3 t -67.81 -35.15 78.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.456 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.14 -43.49 98.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.716 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.37 -45.45 14.46 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.701 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -50.55 73.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.047 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.1 mt -59.35 -28.07 66.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.414 HG21 ' CZ ' ' A' ' 43' ' ' TYR . 87.4 m -61.73 -45.0 95.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.874 0.368 . . . . 0.0 110.394 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -59.69 -58.74 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.778 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -54.48 -34.16 28.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -63.5 -53.19 55.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.615 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -59.26 -51.46 69.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -56.11 -29.72 61.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.41 HD12 ' CD1' ' A' ' 80' ' ' TYR . 18.4 mt -71.29 -27.25 63.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.402 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -77.74 -34.29 39.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.77 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.84 -26.46 59.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.16 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -87.17 -36.28 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.388 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.412 ' CZ ' ' HG3' ' A' ' 79' ' ' LYS . 26.9 m-85 -92.02 -25.19 18.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.35 28.35 10.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.644 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.402 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 10.8 m -119.07 161.06 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.846 0.355 . . . . 0.0 111.002 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.44 162.41 29.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.057 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.414 ' CZ ' HG21 ' A' ' 29' ' ' THR . 8.1 t80 -58.6 -50.81 72.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.75 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -28.42 69.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.066 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.98 -29.1 66.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.021 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.428 HD12 ' CE1' ' A' ' 80' ' ' TYR . 25.0 mm -69.25 -67.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.915 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.429 ' CE1' HG23 ' A' ' 72' ' ' VAL . 9.1 m-30 -138.99 173.72 11.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.729 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.89 165.21 12.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.764 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.7 m -53.07 -34.12 55.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.954 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.8 p -73.51 -29.82 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.401 HG21 ' CG ' ' A' ' 47' ' ' PHE . 97.8 m -69.4 -54.33 14.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -54.27 -50.37 67.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.93 -31.42 64.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -69.69 -59.35 3.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.683 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.426 HD23 HD22 ' A' ' 66' ' ' LEU . 1.1 mp -56.32 -22.63 31.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.111 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.31 -59.24 2.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.75 -34.77 40.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.039 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -68.81 -51.05 44.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.71 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.94 41.19 6.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.6 m -139.11 144.62 38.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.78 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -98.35 84.5 3.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.059 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.5 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 55.5 m-20 -125.37 156.49 70.08 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.543 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -87.82 -49.85 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.738 2.292 . . . . 0.0 112.912 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -37.26 66.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.835 0.35 . . . . 0.0 111.411 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.7 t -53.31 -26.06 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 12.8 mt -86.34 -28.83 23.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.036 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -37.96 75.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -73.46 -10.18 59.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.326 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.48 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 19.4 mm -74.02 136.78 24.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.863 0.363 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.45 125.22 22.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.01 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.89 -31.55 8.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.585 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.429 HG23 ' CE1' ' A' ' 47' ' ' PHE . 9.8 t -85.07 114.0 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 0.0 111.064 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.27 -176.88 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -67.55 -19.62 65.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -90.04 -38.0 13.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.926 0.393 . . . . 0.0 111.215 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -67.78 -37.05 81.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.445 HD22 ' CD1' ' A' ' 66' ' ' LEU . 1.1 tm? -78.45 -24.05 46.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.414 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -87.47 -27.14 22.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.659 0.266 . . . . 0.0 111.485 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.412 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -96.38 -24.86 15.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.731 -179.527 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.428 ' CE1' HD12 ' A' ' 46' ' ' ILE . 43.5 m-85 -114.16 -23.08 9.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -45.75 -39.76 8.61 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.112 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.62 -27.13 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.778 0.323 . . . . 0.0 111.288 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -96.27 -60.29 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.274 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.28 -55.36 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.386 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.2 mt -57.51 -29.84 34.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.082 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.1 t -56.41 -32.74 65.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.966 0.413 . . . . 0.0 110.438 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.4 t -90.58 -19.8 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.345 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.519 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -86.01 -15.4 41.56 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.301 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.72 -35.62 61.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.824 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -63.96 -43.5 95.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.519 ' CE2' ' HA ' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -60.5 -41.56 94.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.666 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -31.9 63.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.666 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -80.51 -27.11 37.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.798 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -91.98 -7.13 49.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.489 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.1 m -66.62 -31.83 72.78 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.885 0.374 . . . . 0.0 110.999 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.0 t -110.05 142.36 25.74 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.43 -46.49 1.34 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.532 2.154 . . . . 0.0 112.225 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.28 174.92 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -85.9 -31.18 22.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -169.34 37.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.877 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.8 pt -111.41 147.36 36.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.693 0.282 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.37 143.29 38.73 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.489 2.126 . . . . 0.0 112.328 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.33 31.66 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.791 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -109.37 155.85 20.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.1 pttt -105.14 122.55 46.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.7 130.34 35.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.79 -31.05 7.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.9 164.46 25.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 tp -146.76 32.86 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.65 -61.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.52 146.42 42.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -101.53 -40.86 6.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.8 p -72.21 158.44 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 m -68.23 92.79 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.94 -20.66 28.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -29.34 33.69 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.867 0.365 . . . . 0.0 111.088 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.98 -56.59 15.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -60.16 -26.3 66.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.6 mtp -62.57 -63.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.343 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.412 ' HA ' ' CD2' ' A' ' 59' ' ' LEU . 2.9 m -52.24 -43.53 39.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.731 0.301 . . . . 0.0 111.238 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -59.74 -48.68 80.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.035 0.445 . . . . 0.0 110.376 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -32.48 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.47 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.441 ' HA ' ' OH ' ' A' ' 91' ' ' TYR . 10.3 t -68.19 -34.28 75.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.602 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.29 -38.56 87.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.533 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.31 -43.84 12.32 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.56 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -60.08 -50.88 71.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.27 -31.07 68.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 95.1 m -60.09 -36.83 78.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.511 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.84 -59.1 3.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.738 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.3 p -52.48 -38.41 26.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.5 m -58.45 -50.67 72.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.418 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 6.7 mttt -60.3 -49.85 75.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.667 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -55.78 -25.41 40.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.1 mt -81.83 -29.66 32.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.19 -28.73 61.57 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.768 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -30.08 54.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 111.089 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -83.14 -34.38 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.266 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -90.35 -25.96 20.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.005 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.11 18.38 36.99 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.636 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -106.94 175.16 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.789 0.328 . . . . 0.0 111.008 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -89.48 162.08 15.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.418 ' CG ' ' HE2' ' A' ' 33' ' ' LYS . 7.6 t80 -54.61 -49.59 70.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -25.32 68.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.999 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -62.6 -31.08 71.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.164 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.443 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 30.1 mm -68.97 -67.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.191 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.42 ' CE2' HG13 ' A' ' 84' ' ' VAL . 6.7 m-30 -137.27 159.31 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.983 0.421 . . . . 0.0 111.002 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -100.23 165.38 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.8 m -48.45 -42.56 32.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.233 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.8 m -65.76 -34.93 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.413 HG23 ' CD1' ' A' ' 47' ' ' PHE . 89.4 m -69.7 -46.93 64.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.6 mt -57.37 -44.0 84.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.15 -32.54 71.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.783 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -55.01 15.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.405 HD21 ' CE2' ' A' ' 47' ' ' PHE . 6.6 mp -52.79 -26.05 13.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.009 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.416 ' O ' HD22 ' A' ' 59' ' ' LEU . . . -90.01 -58.37 2.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.469 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -40.09 -32.44 0.17 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.618 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.8 t -86.05 -42.21 14.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.433 HD13 ' CG ' ' A' ' 91' ' ' TYR . 0.2 OUTLIER 63.05 36.53 12.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.3 130.95 27.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.33 84.58 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 1.6 m-20 -125.42 148.7 62.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 3.2 Cg_exo -74.7 -52.65 0.11 Allowed 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.529 2.153 . . . . 0.0 112.134 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -65.38 -32.43 74.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.0 t -71.78 -48.05 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.015 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.407 ' CB ' ' CD2' ' A' ' 77' ' ' LEU . 35.5 mt -70.67 -17.86 62.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.326 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.67 -36.38 60.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -75.44 -3.38 33.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.728 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.7 mm -63.83 149.18 10.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -68.28 116.37 8.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.29 -30.6 10.03 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.609 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.4 t -78.42 121.33 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 111.167 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.7 p -107.79 -177.63 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.34 -25.5 68.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -83.38 -27.37 29.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.219 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -74.71 -37.6 62.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.187 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.407 ' CD2' ' CB ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -79.56 -21.45 45.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -91.58 -28.81 17.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.261 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -96.12 -58.34 2.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.461 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.443 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 14.6 m-85 -82.01 -27.57 33.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.304 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.83 -27.97 5.14 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.725 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.37 -28.25 66.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.774 0.321 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -96.36 -61.92 1.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.272 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.42 HG13 ' CE2' ' A' ' 47' ' ' PHE . 3.3 m -48.19 -54.17 4.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.544 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.4 ' HA ' ' HB2' ' A' ' 88' ' ' LEU . 35.9 mt -57.88 -28.6 33.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.703 0.287 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -33.24 68.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.025 0.441 . . . . 0.0 110.177 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.5 t -90.62 -19.63 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.314 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.522 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -87.23 -14.0 42.25 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.159 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -55.36 -37.62 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.879 0.371 . . . . 0.0 110.965 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -62.62 -27.51 69.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.186 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 7.3 m-30 -71.0 -52.14 21.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.848 0.356 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.95 -25.76 12.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -93.24 -27.96 16.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -102.29 13.37 34.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.454 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.6 t -84.26 -30.01 25.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.818 0.342 . . . . 0.0 111.095 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.7 p -101.55 107.73 52.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.51 -40.73 9.92 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.321 2.014 . . . . 0.0 112.272 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.55 -175.38 4.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.017 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -155.24 114.94 3.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -79.57 -169.72 2.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.8 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.957 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 pt -124.05 76.32 59.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.79 -39.57 77.0 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.578 2.185 . . . . 0.0 112.275 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 60.63 91.52 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -71.23 100.46 2.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.96 84.26 1.71 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -138.28 97.97 3.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -175.14 -50.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.764 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.26 122.7 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.88 128.43 15.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.1 m -122.51 -46.17 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.223 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 64.67 -79.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -141.37 149.2 40.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t 60.82 155.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.192 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.4 m -72.15 131.14 42.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.945 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -29.02 35.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.63 -46.62 86.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.044 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -62.17 -35.1 77.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.14 -23.27 57.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 80.8 mmm -76.76 -50.37 13.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.065 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 m -57.03 -41.48 77.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.94 0.4 . . . . 0.0 110.802 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -64.38 -40.8 96.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.402 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -60.35 -28.56 68.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.664 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.1 t -69.01 -37.38 78.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.463 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -45.74 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.71 -43.49 23.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.824 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -59.05 -51.2 71.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 111.003 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.5 -28.56 67.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.039 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.5 m -61.58 -40.1 93.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 110.639 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -65.53 -58.51 5.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.6 p -52.68 -33.24 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.961 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -62.92 -55.43 26.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.691 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -58.53 -46.74 86.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.7 t -56.63 -30.87 63.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.771 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.5 mt -77.44 -28.78 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.425 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -76.81 -48.48 8.66 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.592 -0.814 . . . . 0.0 112.658 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.31 -23.25 35.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.649 0.261 . . . . 0.0 111.177 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.3 m -92.0 -29.58 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.435 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.429 ' CE1' ' HE3' ' A' ' 79' ' ' LYS . 28.6 m-85 -103.6 13.79 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.477 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.8 33.44 55.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.068 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.425 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 24.3 m -124.68 138.15 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.934 0.397 . . . . 0.0 111.037 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -57.44 162.2 3.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.353 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -56.04 -50.17 71.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.865 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -58.87 -27.43 65.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.79 -29.2 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.447 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 24.5 mm -73.99 -67.35 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.421 ' CG ' HG23 ' A' ' 51' ' ' THR . 11.1 m-30 -137.97 171.44 14.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.944 0.402 . . . . 0.0 111.043 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -114.08 165.36 12.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.4 m -52.18 -32.29 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.1 m -73.22 -27.76 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.287 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.421 HG23 ' CG ' ' A' ' 47' ' ' PHE . 54.3 m -73.0 -57.05 4.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 mt -53.02 -49.12 66.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -57.67 -33.54 68.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -57.18 5.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.494 ' HG ' ' CD2' ' A' ' 66' ' ' LEU . 1.2 mp -59.33 -20.04 51.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.53 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.51 -56.04 4.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.705 0.288 . . . . 0.0 111.027 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.08 -43.54 82.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 m -61.43 -52.78 63.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.407 ' HG ' ' HB3' ' A' ' 91' ' ' TYR . 0.3 OUTLIER 65.61 36.42 6.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.2 m -133.1 137.12 46.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.5 p -93.03 84.92 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.558 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -125.21 156.39 69.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.853 179.788 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -88.48 -51.25 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.845 2.363 . . . . 0.0 112.666 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -69.35 -43.58 73.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.053 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.3 t -52.76 -26.07 9.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.014 0.435 . . . . 0.0 111.0 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 91.3 mt -84.69 -28.88 26.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.204 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.34 -36.82 78.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.678 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -74.19 -19.24 60.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.255 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.417 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 19.5 mm -63.74 135.1 28.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.27 128.68 37.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.987 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.85 -25.71 22.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.659 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.8 t -88.82 115.58 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.063 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.76 -179.62 4.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -68.74 -29.64 68.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -77.74 -35.46 51.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -73.57 -31.74 63.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.973 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.481 HD23 ' CD1' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -81.03 -25.24 37.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.018 -179.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -90.99 -22.34 20.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.238 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.429 ' HE3' ' CE1' ' A' ' 39' ' ' PHE . 3.5 tttt -96.43 -44.06 7.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.594 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.447 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 29.7 m-85 -98.58 -22.61 15.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.76 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -47.07 -27.58 3.64 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.988 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.15 -28.89 64.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.687 0.28 . . . . 0.0 111.299 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.4 -58.5 2.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.416 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.2 m -48.67 -50.57 12.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.515 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.8 mt -60.62 -32.41 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.734 0.302 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.7 t -55.17 -31.95 61.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.976 0.417 . . . . 0.0 110.515 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.9 t -90.48 -19.86 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.369 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.528 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.4 OUTLIER -82.25 -25.95 33.63 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.859 -179.409 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -48.18 -36.31 13.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.96 0.41 . . . . 0.0 110.952 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -64.65 -32.6 74.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.807 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.528 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 1.4 m-30 -74.01 -32.9 63.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.587 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -35.25 74.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.765 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.55 -27.93 37.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -93.19 11.43 27.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.356 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.5 m -69.78 -44.91 69.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.77 0.319 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 m -125.35 147.08 56.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.73 153.36 53.83 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.474 2.116 . . . . 0.0 112.332 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 59.35 86.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -101.03 -43.91 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.2 t70 60.12 31.99 20.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.817 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.585 -0.206 . . . . 0.0 112.585 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mp -136.3 83.52 32.04 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 111.24 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.93 -168.0 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.63 2.22 . . . . 0.0 112.267 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.78 118.0 30.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.787 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -128.33 -60.24 1.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.63 110.54 6.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.775 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.83 114.94 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.57 151.81 48.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.812 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.48 160.8 35.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.421 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 0.9 OUTLIER -101.25 -41.14 6.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.968 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 10' ' ' LEU . 21.9 m 45.43 -171.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.578 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.39 134.99 50.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -141.66 31.07 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.79 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 m -76.03 131.46 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.192 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t 73.1 5.76 5.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.623 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -91.59 -34.08 14.86 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.849 0.357 . . . . 0.0 110.837 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -60.54 -50.18 74.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.991 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -34.81 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -76.56 -17.86 58.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.141 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.31 -37.3 23.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.284 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.438 ' N ' HD21 ' A' ' 59' ' ' LEU . 3.0 m -70.98 -35.69 60.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.906 0.384 . . . . 0.0 110.977 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -68.71 -56.23 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.744 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -57.56 -31.69 66.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.67 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.413 ' SG ' ' CE2' ' A' ' 91' ' ' TYR . 6.0 t -61.35 -43.95 98.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.505 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.6 -39.98 81.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.4 -40.37 48.43 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.672 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -62.11 -53.75 50.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 110.942 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.431 ' HA ' HD21 ' A' ' 28' ' ' LEU . 94.5 mt -58.88 -26.32 64.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.009 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.3 m -64.18 -36.86 85.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.86 0.362 . . . . 0.0 110.31 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -56.91 7.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.605 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.2 -29.64 32.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.968 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -65.94 -41.04 91.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.78 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -71.41 -45.74 61.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -55.61 -44.57 77.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 60.3 mt -60.57 -32.93 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.627 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.31 -20.9 80.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.565 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -86.25 -28.17 23.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.698 0.285 . . . . 0.0 111.056 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 36.0 m -90.71 -40.04 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.446 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.407 ' CD1' ' HE2' ' A' ' 79' ' ' LYS . 40.4 m-85 -83.21 -27.18 30.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.11 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.1 24.7 21.71 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.627 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.4 m -110.22 174.5 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 111.028 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -86.56 162.16 18.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.176 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -55.54 -60.02 4.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -59.01 -21.09 58.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -42.21 81.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.06 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.453 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 34.0 mm -61.7 -67.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.113 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 21.2 m-85 -137.7 160.08 40.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.994 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.18 165.32 11.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.1 m -50.49 -43.71 55.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.07 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.9 m -65.88 -28.79 44.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.0 m -69.23 -58.24 4.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.228 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.84 -49.42 65.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.0 -36.7 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.975 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.409 ' HB3' ' CD1' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -65.74 -60.11 3.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.018 -179.815 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.4 HD22 ' CD1' ' A' ' 66' ' ' LEU . 0.5 OUTLIER -52.93 -25.09 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.734 0.302 . . . . 0.0 111.201 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.19 -55.33 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.128 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -47.23 -29.25 2.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.048 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -84.88 -41.99 15.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.776 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.438 HD21 ' N ' ' A' ' 21' ' ' VAL . 0.2 OUTLIER 64.57 44.32 4.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.635 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.31 142.49 37.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.6 p -97.99 85.07 3.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.481 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.2 m-20 -124.55 156.28 67.97 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -86.95 -47.8 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.77 2.313 . . . . 0.0 112.884 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -76.82 -36.13 57.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.817 0.341 . . . . 0.0 111.253 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.5 t -54.03 -23.78 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.365 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 1.5 mt -86.92 -32.97 19.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.91 0.386 . . . . 0.0 110.635 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.91 -38.79 68.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -72.07 -21.36 61.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 54' ' ' LYS . 33.8 mm -63.84 147.45 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -70.3 125.19 26.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.08 -27.49 20.16 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.586 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.4 t -81.37 152.57 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.5 p -144.04 -178.81 6.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.91 -29.31 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -80.44 -32.86 37.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.054 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -68.68 -43.0 77.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.435 HD21 ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -73.56 -15.12 61.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.266 179.79 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -91.37 -41.27 10.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.786 0.327 . . . . 0.0 111.15 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.407 ' HE2' ' CD1' ' A' ' 39' ' ' PHE . 17.5 tttt -81.59 -52.6 7.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.245 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.453 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 26.9 m-85 -97.76 30.17 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.069 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -91.37 -10.81 61.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.978 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.25 -24.35 15.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -96.28 -70.3 0.72 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.417 ' CG1' ' O ' ' A' ' 80' ' ' TYR . 9.6 p -55.02 -32.65 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.658 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.9 mm -69.03 -36.63 74.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.815 0.34 . . . . 0.0 110.275 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.3 p -56.72 -31.6 64.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.084 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.7 t -78.55 -23.05 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.784 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.598 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.4 OUTLIER -80.85 -25.5 37.65 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.367 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -51.99 -25.55 8.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 111.193 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -81.24 -26.95 35.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.295 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.598 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 3.5 m-30 -72.5 -30.39 64.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.08 -29.55 19.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -81.39 -30.57 33.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.101 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 10.0 m0 -76.59 -35.18 58.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.082 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.4 t -66.98 -28.99 68.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.063 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.13 108.17 16.15 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.35 -167.39 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.463 2.109 . . . . 0.0 112.273 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 63.69 125.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.52 172.93 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -176.49 162.67 2.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 64.4 m . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.871 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.612 -0.195 . . . . 0.0 112.612 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.413 ' O ' ' CG2' ' A' ' 2' ' ' ILE . 0.9 OUTLIER -124.8 87.88 54.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.994 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.48 100.39 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.503 2.135 . . . . 0.0 112.37 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -95.05 162.48 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -106.97 30.77 5.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -135.73 175.5 9.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -159.6 89.89 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -139.05 -65.52 0.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.97 174.77 13.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -169.24 136.51 1.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.3 p -116.12 130.67 70.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.55 91.95 3.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -131.1 -50.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.21 145.17 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 m -70.78 83.25 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -31.34 45.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 mtt-85 -63.73 -29.25 70.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -60.34 -59.88 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -22.93 67.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.483 ' HB3' HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -63.33 -61.85 2.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.273 -179.787 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.413 ' HA ' HD23 ' A' ' 59' ' ' LEU . 11.1 m -55.55 -39.78 55.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 111.344 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -62.91 -46.51 87.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.63 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -29.11 68.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.769 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.6 t -66.53 -40.09 88.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.53 -37.74 84.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.779 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.09 -45.9 11.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.562 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.25 -51.07 71.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 111.04 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.0 mt -58.94 -28.0 65.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.184 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.406 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 87.6 m -63.91 -37.84 88.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.374 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -58.38 6.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.828 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 p -57.55 -32.55 42.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -60.26 -45.29 93.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.709 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 9.8 mttt -67.6 -44.23 78.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.766 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.1 m -56.56 -34.06 66.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.784 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.0 mt -77.99 -29.91 49.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.441 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -76.15 -26.81 63.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.821 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -76.77 -24.79 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.74 0.305 . . . . 0.0 111.123 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.1 m -92.07 -30.72 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.509 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.429 ' CE1' ' HE2' ' A' ' 79' ' ' LYS . 25.1 m-85 -95.07 17.64 13.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.391 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.37 44.33 44.7 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.087 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.441 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 5.9 m -134.68 172.2 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.656 0.265 . . . . 0.0 111.071 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.53 162.09 14.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.032 0.444 . . . . 0.0 111.35 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.428 ' CG ' ' HE2' ' A' ' 33' ' ' LYS . 12.9 t80 -56.99 -22.92 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.002 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -91.45 15.08 13.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.334 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -104.71 -30.78 9.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.856 0.36 . . . . 0.0 110.734 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.425 HD11 ' CE1' ' A' ' 80' ' ' TYR . 29.3 mm -69.8 -67.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -133.88 158.68 42.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.787 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -95.32 165.34 12.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.962 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.8 m -52.12 -46.25 65.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.996 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.5 p -71.81 -26.18 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 m -69.83 -49.24 54.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.076 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.5 mt -58.35 -51.38 70.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.055 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -55.37 -30.88 61.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.871 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -62.61 -55.95 22.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.595 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' A' ' 66' ' ' LEU . 1.8 mp -59.13 -23.03 61.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.382 179.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.66 -49.62 8.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.62 -34.13 64.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.937 0.399 . . . . 0.0 110.659 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -84.69 -48.38 9.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.466 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' A' ' 20' ' ' MET . 0.1 OUTLIER 63.54 50.45 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.086 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.8 m -139.29 125.69 20.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.764 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.408 ' HB3' ' CB ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -86.11 84.22 7.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.088 -179.799 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.593 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 11.9 m-20 -126.2 147.65 60.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.728 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 4.7 Cg_exo -79.07 -40.18 0.29 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.76 2.307 . . . . 0.0 112.418 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.04 -37.15 39.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.324 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.418 ' CG2' ' CB ' ' A' ' 62' ' ' ASP . 59.4 t -57.1 -38.63 61.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.211 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 15.2 mt -71.8 -31.88 67.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.14 -36.75 73.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -76.14 -19.61 58.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.381 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.422 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 22.0 mm -63.69 139.71 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 111.021 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -67.37 122.42 17.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.53 -28.97 11.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.453 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -85.02 133.19 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p -123.49 -178.07 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -42.14 98.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -66.91 -43.08 84.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.431 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 9.2 mmtm -59.81 -52.98 63.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.459 HD23 ' CD1' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -68.74 -12.16 61.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.791 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -81.04 -61.86 1.83 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.675 0.274 . . . . 0.0 111.62 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.429 ' HE2' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -80.92 -41.72 22.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.956 -179.041 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.431 ' CD2' ' HA ' ' A' ' 76' ' ' LYS . 15.8 m-85 -80.94 -28.22 35.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.623 0.249 . . . . 0.0 111.402 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.61 -27.07 5.77 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.814 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.41 -24.05 50.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.713 0.292 . . . . 0.0 111.261 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.2 -61.7 1.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.196 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.2 m -49.8 -54.52 7.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.34 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.405 ' HA ' HD11 ' A' ' 88' ' ' LEU . 27.3 mt -59.45 -25.68 31.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.07 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.9 t -60.74 -33.11 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.988 0.423 . . . . 0.0 110.312 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.3 t -90.76 -19.77 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.467 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.501 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -87.41 -17.8 31.45 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.27 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.54 -25.55 17.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 0.0 111.247 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -75.86 -29.01 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.164 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.501 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 4.9 m-30 -69.73 -51.95 29.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.188 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.2 t -62.69 -23.77 67.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.267 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -87.89 -20.01 26.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.418 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -110.66 -9.65 14.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.639 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.7 t -66.8 -32.7 74.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.766 0.317 . . . . 0.0 111.021 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 m -85.69 123.77 72.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.47 -33.09 11.35 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.327 2.018 . . . . 0.0 112.409 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.93 -30.31 61.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -62.67 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.18 104.17 12.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.2 t . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.861 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.606 -0.198 . . . . 0.0 112.606 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -159.3 91.58 1.9 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 111.119 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.13 -23.23 21.7 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.705 2.27 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.56 -32.14 49.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.135 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -140.33 124.84 17.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -90.93 167.39 12.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -151.51 135.81 16.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 tttp 59.79 -170.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.56 138.11 47.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.2 mt -102.33 -50.68 3.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 t -68.67 144.48 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.999 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 60.71 80.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.22 89.49 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.7 t -129.44 155.02 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.9 76.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.754 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -81.12 -22.41 39.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.097 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.77 -29.08 67.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.051 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -34.79 60.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.939 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.21 -30.27 34.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.441 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -67.24 -44.21 80.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.977 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.41 ' HA ' ' CD2' ' A' ' 59' ' ' LEU . 14.7 m -67.38 -45.07 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.179 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -60.61 -41.32 94.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -57.75 -31.12 66.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.438 ' HB2' ' CD2' ' A' ' 59' ' ' LEU . 19.1 t -69.44 -33.94 73.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.16 -41.44 98.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.848 0.356 . . . . 0.0 110.602 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.76 -44.45 10.37 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.641 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.04 -49.33 78.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.93 0.395 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.3 mt -60.94 -30.03 69.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.9 m -61.22 -32.47 72.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.355 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.11 -59.37 2.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.6 p -53.16 -38.49 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.7 m -60.62 -43.72 97.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.711 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -58.67 -54.29 48.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -56.75 -31.31 64.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.794 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.405 HD13 ' CD1' ' A' ' 80' ' ' TYR . 26.9 mt -71.85 -21.47 61.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.037 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.403 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -81.61 -37.19 17.68 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.666 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -73.87 -27.19 60.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.703 0.287 . . . . 0.0 111.016 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.9 m -85.46 -28.85 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.534 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.437 ' CZ ' ' HG2' ' A' ' 79' ' ' LYS . 44.6 m-85 -107.93 17.53 22.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.486 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 49.88 41.31 36.18 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.053 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.403 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 7.0 m -132.16 155.83 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.076 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.16 162.22 28.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.305 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -56.53 -48.0 78.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.789 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -18.72 65.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.255 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -72.33 -30.35 64.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.269 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.423 HD13 HG21 ' A' ' 46' ' ' ILE . 30.2 mm -67.0 -67.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.146 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.407 ' CG ' HG22 ' A' ' 51' ' ' THR . 8.9 m-30 -138.24 150.09 46.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.994 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -92.13 165.36 13.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -51.37 -37.57 48.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.089 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.1 m -67.12 -26.64 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.277 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.407 HG22 ' CG ' ' A' ' 47' ' ' PHE . 77.0 m -74.33 -55.92 5.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.6 mt -56.27 -47.49 78.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.238 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -57.47 -35.01 69.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.768 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -59.25 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.651 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.504 ' HG ' ' CD2' ' A' ' 66' ' ' LEU . 1.6 mp -58.53 -20.43 46.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.556 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.89 -50.97 10.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.345 . . . . 0.0 111.15 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.52 -47.51 73.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.077 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.2 p -71.37 -49.38 42.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.503 HD12 ' CG ' ' A' ' 91' ' ' TYR . 0.0 OUTLIER 64.61 50.94 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -139.18 146.1 40.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.704 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.66 84.81 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 4.4 m-20 -125.37 156.83 69.59 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -87.24 -59.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.956 2.437 . . . . 0.0 112.252 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -61.12 -47.09 87.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.412 HG22 ' CB ' ' A' ' 62' ' ' ASP . 39.1 t -52.5 -26.69 10.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.012 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 79.5 mt -87.43 -17.83 31.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.536 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.78 -37.31 70.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.45 -9.24 58.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.636 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.411 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 27.8 mm -68.06 152.3 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.854 0.359 . . . . 0.0 111.156 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -71.79 121.75 19.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.57 -34.75 4.67 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.651 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.3 123.51 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.335 . . . . 0.0 111.248 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 p -121.0 -178.56 3.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.744 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.93 -45.15 91.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -63.17 -33.25 75.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -74.74 -35.58 62.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.458 HD21 ' CD1' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -82.25 -18.74 41.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.245 -179.831 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -91.47 -28.64 17.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.437 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 8.7 ttpt -96.52 -57.91 2.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.259 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.416 ' CZ ' HD13 ' A' ' 46' ' ' ILE . 27.6 m-85 -82.83 -28.02 30.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.459 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -44.89 -42.02 7.65 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 121.072 -0.585 . . . . 0.0 113.168 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.03 -27.09 66.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.719 0.295 . . . . 0.0 111.384 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.2 -62.2 1.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.443 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.403 ' CG2' ' HA2' ' A' ' 81' ' ' GLY . 3.5 m -46.8 -52.05 4.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.426 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.5 mt -59.92 -27.65 39.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.841 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 t -58.47 -31.26 67.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 110.394 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.8 t -90.55 -19.6 7.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.356 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.487 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -86.53 -20.83 27.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.819 -179.39 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -49.78 -33.24 15.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.934 0.397 . . . . 0.0 111.11 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -65.69 -42.85 90.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.503 ' CG ' HD12 ' A' ' 59' ' ' LEU . 1.9 m-30 -58.9 -46.0 88.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.814 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.5 t -58.98 -21.28 58.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -97.3 -16.61 20.23 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.367 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -111.55 -5.08 14.58 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 t -66.78 -24.56 66.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.66 0.267 . . . . 0.0 111.214 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -83.81 129.69 58.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.771 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.85 -29.18 15.74 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.456 2.104 . . . . 0.0 112.329 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.02 104.31 16.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -73.85 151.07 40.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.74 139.27 43.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.83 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.458 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 2.1 mp -75.9 -48.05 3.7 Favored Pre-proline 0 C--N 1.33 -0.241 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 2' ' ' ILE . 84.9 Cg_endo -78.41 153.95 27.65 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.343 2.029 . . . . 0.0 112.329 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.78 -40.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -63.13 86.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -150.72 -177.89 6.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.67 95.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -60.06 -70.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.972 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.7 91.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 64.37 -76.48 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.9 t 72.28 -62.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 67.28 163.55 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.05 -41.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 p -160.88 74.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.27 60.8 3.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -67.38 -58.16 5.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.48 -29.96 70.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.49 -41.53 72.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.58 -24.64 56.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 61.2 mmm -72.04 -46.29 57.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.168 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.8 m -64.01 -35.9 75.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 111.056 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -63.35 -46.02 88.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.7 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -58.53 -28.94 65.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.945 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.4 t -66.29 -41.6 89.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.723 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.02 -40.08 88.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.94 -50.75 7.51 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.716 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -56.24 -49.14 75.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 111.178 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.9 mt -59.94 -28.16 67.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.9 m -62.21 -41.79 98.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.388 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.83 -58.54 7.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.704 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.7 p -54.92 -35.35 33.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.992 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.0 m -60.19 -52.61 64.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.62 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -58.39 -51.21 70.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.51 -30.92 61.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 80' ' ' TYR . 17.3 mt -71.94 -28.37 63.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.65 -22.98 65.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.725 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -77.96 -39.64 41.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.733 0.301 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.8 m -76.55 -31.71 20.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.401 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -93.33 -27.26 16.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.034 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.22 15.83 49.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.781 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 31.1 m -101.39 168.19 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 110.892 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.64 162.08 23.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.11 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -54.69 -53.69 51.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.863 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.05 -26.17 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -58.21 -32.94 68.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.975 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.423 HD13 ' CE1' ' A' ' 80' ' ' TYR . 32.9 mm -68.4 -67.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.417 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 10.8 m-30 -138.42 140.21 39.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.43 165.3 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.6 m -53.32 -41.7 65.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.7 p -72.78 -29.63 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.402 HG22 ' CD1' ' A' ' 47' ' ' PHE . 12.6 m -68.41 -48.42 64.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.217 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.31 -51.16 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.057 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -55.53 -29.31 58.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.23 -57.24 10.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.667 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.462 ' HG ' ' CD2' ' A' ' 66' ' ' LEU . 1.3 mp -58.24 -22.2 51.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.436 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.53 -58.05 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.977 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.77 -36.21 67.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 m -67.61 -53.17 30.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.834 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.56 37.71 4.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.297 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.4 p -139.14 137.5 36.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.757 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.76 84.22 2.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 111.078 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.599 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -125.82 156.07 71.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.559 179.493 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.62 -45.63 0.12 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.592 2.194 . . . . 0.0 111.944 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.97 -50.42 55.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.896 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.2 t -46.39 -48.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.737 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 12.1 mt -69.44 -27.34 65.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.154 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.85 -37.53 79.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 110.753 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -72.73 -22.06 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.278 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 mm -63.91 134.26 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.16 131.14 50.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.04 -35.1 4.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.6 t -84.58 114.66 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.339 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.8 p -108.83 -178.15 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.24 -28.41 69.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -79.67 -45.58 18.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.019 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -57.95 -40.66 81.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -77.37 -11.84 59.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.277 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -86.46 -38.8 16.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.705 0.288 . . . . 0.0 111.408 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.402 ' HE2' ' CE1' ' A' ' 80' ' ' TYR . 7.9 ptmt -96.12 -48.69 5.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.577 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.423 ' CE1' HD13 ' A' ' 46' ' ' ILE . 24.6 m-85 -80.21 -28.17 38.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 111.28 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -46.82 -46.76 19.19 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.001 -0.618 . . . . 0.0 113.036 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.72 -25.05 62.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.712 0.291 . . . . 0.0 111.289 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -96.25 -61.34 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.226 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -49.24 -55.83 3.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.759 0.314 . . . . 0.0 111.522 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.4 mt -58.22 -27.49 32.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.245 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -33.95 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.026 0.441 . . . . 0.0 110.401 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.1 t -90.7 -19.91 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.476 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.51 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -85.35 -20.23 30.25 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.217 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.2 -33.07 18.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.033 0.444 . . . . 0.0 110.701 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -44.34 91.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.776 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.51 ' CE2' ' HA ' ' A' ' 88' ' ' LEU . 0.9 OUTLIER -62.4 -37.57 86.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.43 179.741 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -57.14 -30.0 64.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.786 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.41 -24.58 34.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -86.02 -37.11 19.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.109 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 t -68.09 -26.21 65.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.146 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.0 m -83.82 139.37 40.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.966 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.79 141.95 25.01 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.585 2.19 . . . . 0.0 112.44 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 58.06 63.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.0 -55.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.804 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -74.24 149.28 40.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.1 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.891 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.487 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 2.5 mp -81.78 -45.58 1.06 Allowed Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 111.459 0.17 . . . . 0.0 111.459 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 2' ' ' ILE . 51.9 Cg_exo -54.3 138.37 72.58 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.312 2.008 . . . . 0.0 112.324 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -151.76 135.17 16.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.36 -35.11 75.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.1 176.82 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -129.97 178.8 6.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -100.17 105.91 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.07 -31.65 71.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tt -116.19 127.06 54.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.1 m -105.72 173.73 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.188 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.71 177.71 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -137.65 30.45 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.989 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.8 t -152.53 153.68 8.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.09 86.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -72.73 -36.26 67.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ptp85 -70.33 -31.91 69.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -80.98 -28.66 35.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.46 -40.03 27.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -46.22 86.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.5 m -61.0 -44.65 98.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.898 0.38 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -61.58 -41.15 97.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.558 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -30.01 68.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.736 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 t -67.87 -37.59 82.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.502 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.51 -43.92 96.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.24 -42.0 24.78 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.839 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.77 -52.7 63.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.863 0.363 . . . . 0.0 110.977 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 mt -58.04 -29.35 65.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.953 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.9 m -60.8 -43.21 98.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.524 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.22 -58.88 6.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.635 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 p -53.21 -36.66 26.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.048 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.1 m -58.36 -53.33 59.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.732 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.418 ' HE2' ' CD2' ' A' ' 43' ' ' TYR . 19.4 mttt -62.41 -44.02 97.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.754 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -25.24 56.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.986 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.417 HD11 ' CD1' ' A' ' 80' ' ' TYR . 52.6 mt -86.28 -28.85 23.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.402 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -79.4 -28.22 53.08 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.674 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -27.99 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.059 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.0 m -86.55 -35.3 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.259 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -90.61 -26.21 19.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.09 24.37 19.84 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.714 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.402 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 31.3 m -111.58 144.17 19.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.773 0.32 . . . . 0.0 110.982 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -59.45 160.15 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.056 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.418 ' CD2' ' HE2' ' A' ' 33' ' ' LYS . 5.2 t80 -57.08 -45.34 83.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.773 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.28 -26.8 68.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -58.51 -33.86 70.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.44 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 31.9 mm -68.9 -67.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.133 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 8.7 m-30 -138.53 172.71 12.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -116.71 165.27 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.766 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 m -52.25 -29.64 23.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.4 m -74.56 -29.82 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.228 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.5 m -74.25 -50.87 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.2 mt -57.15 -47.33 81.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -59.37 -36.76 76.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.765 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -67.19 -57.24 7.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.68 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.505 ' HG ' ' CD2' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -59.4 -20.33 54.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.392 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.9 -53.88 6.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.707 0.289 . . . . 0.0 110.989 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.14 -40.69 86.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.625 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.3 t -63.94 -51.01 66.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.751 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.98 41.77 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -139.25 148.15 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.73 84.79 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.852 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.549 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -125.13 156.97 68.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.637 179.706 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -86.99 -49.2 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.533 2.155 . . . . 0.0 112.867 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -35.18 69.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.406 ' CG2' ' CB ' ' A' ' 62' ' ' ASP . 39.1 t -59.82 -31.31 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 41.3 mt -83.69 -19.52 35.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.364 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.3 -36.28 79.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.896 0.379 . . . . 0.0 110.605 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -78.57 -15.73 58.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.597 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.431 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 22.9 mm -63.69 154.01 6.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.875 0.369 . . . . 0.0 111.063 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -74.41 132.74 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.32 -3.17 82.66 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.899 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.7 t -104.09 142.74 17.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.8 0.333 . . . . 0.0 111.032 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -137.48 178.74 6.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.88 -44.34 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -59.6 -42.65 93.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -65.12 -38.95 92.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -81.43 -12.62 58.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.377 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -91.13 -36.78 13.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.752 0.311 . . . . 0.0 110.936 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.33 -58.14 2.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.44 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 16.7 m-85 -76.84 -24.96 52.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.282 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.4 -48.33 21.63 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.802 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.65 -22.17 44.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.692 0.282 . . . . 0.0 111.343 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -62.6 1.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.138 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.3 m -48.35 -55.51 2.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.422 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.401 HG21 HD11 ' A' ' 85' ' ' ILE . 13.1 mt -57.56 -28.1 30.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.178 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.75 -32.74 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.113 0.483 . . . . 0.0 110.376 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.9 t -90.46 -19.66 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.308 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.497 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -86.89 -18.22 31.37 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.28 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -50.87 -36.85 40.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.789 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -62.33 -45.86 91.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.497 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 1.4 m-30 -57.21 -42.34 81.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.765 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.5 t -55.73 -30.97 62.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.79 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -28.05 56.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.778 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -94.93 -5.66 44.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.459 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.9 m -72.49 -45.43 59.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.9 151.94 61.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.26 179.39 1.56 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.474 2.116 . . . . 0.0 112.326 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 60.97 178.55 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -122.09 -47.5 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -160.74 158.45 28.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.934 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.6 pt -129.4 157.11 77.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.734 0.302 . . . . 0.0 111.164 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.23 123.91 13.71 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.656 2.237 . . . . 0.0 112.282 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -140.15 64.53 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -138.67 99.37 3.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 156.73 44.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -160.04 93.1 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -73.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.2 37.16 23.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.36 33.06 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.7 m -109.17 30.95 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.03 -177.88 6.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.35 163.45 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.0 p -59.65 138.68 20.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m 59.87 31.15 20.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -67.97 -36.47 80.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.42 -29.97 68.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.049 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -65.1 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.032 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -59.27 -20.57 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.431 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -71.68 -42.54 67.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.237 -179.769 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.435 ' HA ' HD23 ' A' ' 59' ' ' LEU . 2.9 m -67.8 -31.71 53.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.371 . . . . 0.0 111.412 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.411 ' N ' HG23 ' A' ' 21' ' ' VAL . 3.2 mmmm -68.43 -46.37 70.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.722 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -57.97 -26.77 62.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.453 ' HA ' ' OH ' ' A' ' 91' ' ' TYR . 42.5 t -72.88 -36.27 67.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.034 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.9 -42.19 98.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.898 0.38 . . . . 0.0 110.68 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.0 -40.93 15.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.706 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.22 -54.23 43.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.881 0.372 . . . . 0.0 111.011 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.44 -29.34 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.067 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.421 HG21 ' CZ ' ' A' ' 43' ' ' TYR . 42.8 m -61.71 -37.34 83.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.415 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -66.37 -57.63 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.779 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.7 p -55.31 -33.4 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.035 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -58.38 -59.02 6.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.76 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -56.7 -48.4 77.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.28 -28.76 55.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.6 mt -79.22 -29.38 42.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.77 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.31 -25.3 68.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.557 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -29.77 46.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 111.008 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 m -86.01 -33.35 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.305 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 79' ' ' LYS . 21.7 m-85 -88.65 -27.03 21.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.08 27.37 12.39 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.583 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.3 m -116.93 175.06 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.968 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -89.63 162.19 15.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.091 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.421 ' CZ ' HG21 ' A' ' 29' ' ' THR . 8.4 t80 -53.83 -49.06 69.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.836 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.45 -26.67 68.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.51 -31.49 71.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.04 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.423 HD12 ' CZ ' ' A' ' 80' ' ' TYR . 28.3 mm -66.51 -67.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.056 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 8.7 m-30 -138.36 170.34 16.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -110.67 165.42 11.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.813 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.5 m -53.79 -29.3 39.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.0 m -75.69 -30.29 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.228 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 98.2 m -71.23 -54.58 10.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.4 mt -54.65 -51.2 66.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -58.9 -27.93 65.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.05 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -60.18 2.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.982 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.403 ' CD2' ' CD2' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -55.35 -23.51 24.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.365 179.658 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.403 ' O ' HD22 ' A' ' 59' ' ' LEU . . . -81.19 -46.4 14.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.29 -32.95 62.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.3 m -86.35 -48.15 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.747 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.546 HD13 ' CG ' ' A' ' 91' ' ' TYR . 0.1 OUTLIER 64.32 50.29 2.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.005 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.06 124.64 19.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.635 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.42 84.45 3.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.997 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.482 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.9 m-20 -125.69 151.58 70.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.63 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -86.96 -46.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.926 2.417 . . . . 0.0 112.838 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -37.01 51.31 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.2 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.416 ' CG2' ' CB ' ' A' ' 62' ' ' ASP . 62.1 t -52.57 -26.03 9.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.983 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.536 ' HB2' HD22 ' A' ' 77' ' ' LEU . 2.8 mt -83.53 -35.29 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.548 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.95 -40.06 56.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -71.98 -23.44 61.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.894 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.416 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 32.7 mm -63.97 147.97 11.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.05 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.69 129.3 38.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.29 -35.03 4.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.571 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.6 t -81.02 129.63 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 111.162 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.96 -176.3 3.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -28.4 66.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -81.45 -47.18 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.051 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -57.76 -32.47 67.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.536 HD22 ' HB2' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -85.2 -13.62 49.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.369 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -30.96 17.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 15.8 ptmt -96.67 -39.67 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.52 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.423 ' CZ ' HD12 ' A' ' 46' ' ' ILE . 29.5 m-85 -95.99 -27.88 14.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.748 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -46.86 -28.19 3.7 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.177 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.76 -27.39 60.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.758 0.313 . . . . 0.0 111.232 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.22 -57.08 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.62 -58.09 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.803 0.335 . . . . 0.0 111.09 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.402 HG23 HD11 ' A' ' 85' ' ' ILE . 29.5 mt -55.46 -25.03 16.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.7 t -61.2 -33.63 73.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.012 0.434 . . . . 0.0 110.31 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.3 t -90.53 -19.8 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.322 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.495 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -85.75 -19.16 31.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.859 -179.436 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -51.12 -29.45 13.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.825 0.345 . . . . 0.0 111.236 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -71.1 -32.78 69.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.546 ' CG ' HD13 ' A' ' 59' ' ' LEU . 4.5 m-30 -66.29 -53.08 40.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.057 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 m -56.26 -28.05 57.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.03 -28.4 62.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.049 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -104.14 -12.85 16.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.44 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.1 m -66.76 -25.67 66.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.673 0.273 . . . . 0.0 111.059 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.9 p -94.13 107.68 30.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.48 57.41 6.47 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.546 2.164 . . . . 0.0 112.451 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -172.79 -62.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.97 81.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -136.62 -66.83 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.883 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 112.413 -0.275 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mt 64.07 78.47 0.28 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.714 0.292 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.93 137.29 31.74 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.464 2.109 . . . . 0.0 112.311 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -167.05 112.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -137.37 -47.38 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.78 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.22 99.99 7.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.15 -30.57 7.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.49 105.47 15.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.79 175.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 mp -136.3 -57.69 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.977 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.7 m -105.96 135.43 44.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.49 38.92 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -133.23 155.44 49.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.1 p -107.6 -34.41 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.9 p -58.04 -28.94 64.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.32 -22.67 43.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -61.26 -32.02 71.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.146 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -66.57 -41.81 88.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -78.84 -23.56 44.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.437 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -71.58 -43.72 65.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.147 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.412 ' HA ' HD22 ' A' ' 59' ' ' LEU . 21.0 m -68.93 -45.03 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.896 0.379 . . . . 0.0 111.303 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -43.74 96.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.754 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -56.62 -31.08 63.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.903 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.423 ' HB2' ' CD2' ' A' ' 59' ' ' LEU . 12.7 t -68.51 -34.05 75.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.702 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -39.86 93.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.433 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.65 -44.42 10.62 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.667 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.65 -50.71 72.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.718 0.294 . . . . 0.0 111.013 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.65 -33.63 70.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.3 m -57.32 -43.5 83.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.617 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.21 -61.36 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 p -49.91 -38.37 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.305 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.9 m -57.46 -56.66 18.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -61.1 -44.5 97.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.6 t -54.09 -28.48 39.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.0 mt -83.11 -28.71 29.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.48 -20.72 79.5 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.807 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -26.98 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 111.217 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.6 m -90.55 -29.23 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.352 . . . . 0.0 111.402 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.421 ' CE1' ' HE3' ' A' ' 79' ' ' LYS . 32.8 m-85 -96.13 -27.02 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.12 27.1 12.71 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.727 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.3 m -115.97 155.38 17.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.79 0.329 . . . . 0.0 111.065 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.46 162.04 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.048 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -56.29 -55.82 28.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.797 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.98 -24.28 62.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -57.49 -30.59 65.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.426 HD12 ' CZ ' ' A' ' 80' ' ' TYR . 24.1 mm -72.71 -67.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.426 ' CD1' HG22 ' A' ' 51' ' ' THR . 7.3 m-30 -139.41 166.3 24.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -109.27 165.5 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.759 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 m -49.74 -40.69 41.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.103 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.0 m -66.38 -28.65 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.094 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.426 HG22 ' CD1' ' A' ' 47' ' ' PHE . 97.3 m -72.86 -56.04 5.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.0 mt -55.13 -49.34 72.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.62 -29.26 64.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 110.743 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -73.82 -59.41 2.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.726 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.499 ' HG ' ' CD2' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -57.73 -21.56 41.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.412 179.709 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.21 -48.91 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 111.022 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -54.87 -46.93 74.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -72.99 -48.13 39.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.509 HD11 ' CG ' ' A' ' 91' ' ' TYR . 0.0 OUTLIER 64.3 51.0 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 p -139.07 146.39 40.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.625 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.69 84.35 2.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.971 0.415 . . . . 0.0 111.152 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.533 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 43.7 m-20 -125.9 156.21 71.83 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.425 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -81.58 -52.26 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.716 2.277 . . . . 0.0 112.533 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.64 -40.83 76.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.479 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.4 t -54.57 -26.27 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.882 0.372 . . . . 0.0 111.401 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 18.0 mt -88.72 -24.89 22.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.335 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -37.57 88.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.911 0.386 . . . . 0.0 111.008 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -75.05 -16.65 60.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.459 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.407 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 27.3 mm -63.8 150.38 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 111.133 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -73.05 127.21 31.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.55 -31.09 7.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.586 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.7 t -79.62 143.66 12.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.811 0.339 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.48 -177.39 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -67.31 -32.08 72.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -73.23 -40.23 64.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -68.56 -37.24 79.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.447 HD21 ' CD1' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -80.97 -15.9 54.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.209 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -90.46 -35.62 15.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.799 0.333 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HE3' ' CE1' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -96.22 -58.2 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.255 -179.72 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.426 ' CZ ' HD12 ' A' ' 46' ' ' ILE . 24.9 m-85 -78.88 -24.27 44.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.441 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.19 -27.23 7.13 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.685 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.88 -25.54 60.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.826 0.346 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.85 -58.46 2.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.425 HG12 ' CE2' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -50.62 -54.04 10.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.341 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.8 mt -59.96 -27.63 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 t -58.73 -32.21 69.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.912 0.387 . . . . 0.0 110.461 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.4 t -90.39 -19.76 7.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.375 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.487 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -85.4 -21.46 28.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.861 -179.302 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -34.67 27.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 0.0 111.169 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -64.67 -41.17 96.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.509 ' CG ' HD11 ' A' ' 59' ' ' LEU . 3.2 m-30 -57.44 -49.74 75.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -30.97 60.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.59 -27.48 64.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.027 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -103.46 -16.44 15.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.386 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.6 m -66.75 -29.81 69.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.795 0.331 . . . . 0.0 110.967 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.1 t -127.32 144.04 49.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.71 -27.63 37.95 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.541 2.161 . . . . 0.0 112.202 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.8 178.41 7.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -93.29 131.98 37.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -81.83 -60.18 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.448 ' CD1' ' N ' ' A' ' 2' ' ' ILE . 0.1 OUTLIER -130.75 90.91 38.78 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.713 0.292 . . . . 0.0 111.014 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.08 -61.03 0.63 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.618 2.212 . . . . 0.0 112.448 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.13 31.75 2.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -99.56 -175.16 2.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 62.84 172.22 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 61.68 152.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.04 111.54 18.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.01 -177.06 5.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.067 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -158.14 128.99 6.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.57 109.81 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.085 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.66 117.23 8.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.054 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -88.86 90.51 8.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -117.95 152.37 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.57 34.58 2.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.12 -25.36 39.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.059 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -55.37 -34.25 64.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -61.13 -45.08 96.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.94 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.86 -25.15 59.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.402 ' HE1' ' CG ' ' A' ' 94' ' ' TRP . 76.9 mmm -73.75 -50.43 20.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.2 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.7 m -58.5 -40.7 79.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.863 0.363 . . . . 0.0 111.264 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -60.27 -44.68 95.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.015 0.436 . . . . 0.0 110.691 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -58.27 -33.69 69.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.643 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.64 -37.61 87.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.519 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.08 -35.96 80.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.658 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.74 -54.2 4.67 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.604 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 22.4 mt-10 -56.73 -34.02 67.11 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.915 0.388 . . . . 0.0 110.985 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' HA ' ' CG1' ' A' ' 31' ' ' VAL . 15.0 mt -73.1 -21.32 60.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.829 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.3 m -68.82 -54.84 13.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.743 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 1.2 pp20? -56.9 -48.85 77.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.174 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 28' ' ' LEU . 2.9 p -56.44 -41.99 73.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.776 0.322 . . . . 0.0 110.7 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.6 m -60.07 -48.12 83.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.83 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 69.9 mttt -61.54 -48.46 80.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t -56.18 -38.84 71.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.5 mt -63.57 -35.63 81.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.801 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.414 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -71.86 -23.48 77.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.655 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -79.99 -28.47 39.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.655 0.264 . . . . 0.0 111.035 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.1 m -92.16 -35.85 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.439 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.432 ' CZ ' ' HG2' ' A' ' 79' ' ' LYS . 25.2 m-85 -85.32 -27.12 26.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.059 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.88 33.87 7.15 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.733 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.414 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 4.3 m -123.98 168.17 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.733 0.301 . . . . 0.0 111.095 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -80.47 162.07 24.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.123 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.434 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 13.0 t80 -61.48 -25.26 67.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.764 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.65 15.04 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.41 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -100.83 -29.37 12.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.721 0.296 . . . . 0.0 110.799 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.456 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 28.0 mm -70.31 -67.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.446 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 11.5 m-30 -139.99 156.79 46.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.664 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -96.26 165.27 12.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.789 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.9 m -50.76 -39.68 52.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.7 p -73.14 -29.3 28.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.954 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.5 m -70.68 -48.95 52.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.28 -49.01 75.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.189 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -57.26 -31.31 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -64.07 -55.98 18.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.511 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.425 ' HG ' ' CD2' ' A' ' 66' ' ' LEU . 10.9 mp -55.72 -23.78 30.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.943 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.32 -63.38 1.41 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.453 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -47.01 -29.66 2.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.255 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.1 m -79.63 -45.23 19.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.44 30.37 17.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.991 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.2 m -139.11 127.89 23.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.831 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.02 84.77 6.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.793 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -125.29 144.71 48.4 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.964 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 2.9 Cg_exo -74.31 -54.81 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.611 2.207 . . . . 0.0 111.895 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -39.39 80.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.435 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 36.0 t -69.19 -32.43 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.49 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.453 ' HB3' ' CD2' ' A' ' 77' ' ' LEU . 17.3 mt -76.36 -29.23 57.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -37.17 85.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.807 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -71.91 -9.68 58.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.409 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.424 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 17.5 mm -64.83 139.64 21.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.771 0.319 . . . . 0.0 110.95 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.66 109.94 3.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.777 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.96 -28.33 11.39 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.47 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.401 HG22 ' CE1' ' A' ' 47' ' ' PHE . 24.8 t -82.99 128.03 39.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 111.136 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.71 -179.27 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -60.5 -49.09 78.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.787 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -58.62 -36.21 73.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -73.78 -33.3 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -86.12 -15.96 39.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.281 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -91.42 -29.66 16.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.432 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 1.3 ttpt -96.36 -58.21 2.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.374 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.456 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 27.7 m-85 -83.01 -26.72 30.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.483 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.28 -27.72 4.07 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.949 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.4 -27.97 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.758 0.313 . . . . 0.0 111.211 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.21 -59.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.272 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.413 HG12 ' CE2' ' A' ' 47' ' ' PHE . 2.3 m -49.08 -52.99 8.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.755 0.312 . . . . 0.0 111.339 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.415 ' HA ' HD13 ' A' ' 88' ' ' LEU . 17.4 mt -63.94 -33.09 59.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.21 -29.6 46.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.072 0.463 . . . . 0.0 110.384 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 5.4 t -90.59 -19.93 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.376 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.491 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.4 OUTLIER -87.6 -17.85 31.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.086 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -50.88 -36.35 37.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.0 0.429 . . . . 0.0 110.818 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -62.26 -46.94 86.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.782 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.491 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 1.2 m-85 -59.23 -38.34 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.64 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 t -57.41 -28.95 63.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.783 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -85.3 -23.74 28.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.402 ' CG ' ' HE1' ' A' ' 20' ' ' MET . 16.3 m95 -85.89 -35.78 20.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.298 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.6 t -66.84 -33.08 74.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.058 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.0 m -94.65 107.94 33.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.35 85.37 1.07 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.462 2.108 . . . . 0.0 112.326 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -144.19 88.13 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.057 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -171.35 166.17 7.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -143.71 117.59 9.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.882 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 pt -87.91 151.19 49.31 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.721 0.296 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.87 133.94 26.56 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.552 2.168 . . . . 0.0 112.358 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -113.47 40.38 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -128.82 112.6 14.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.85 142.53 27.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -150.16 -55.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -116.43 -179.86 3.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.24 167.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.0 tp -94.34 -66.54 0.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.4 m -155.69 102.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.09 92.25 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -151.16 -46.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.05 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 m -136.44 140.45 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.345 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.9 t 70.05 8.47 6.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.703 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.63 -47.64 7.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.908 0.385 . . . . 0.0 110.834 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.91 -33.67 75.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -58.3 -42.42 86.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -79.2 -29.59 42.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.46 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 78.2 mmm -65.99 -47.57 74.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.451 ' HA ' HD21 ' A' ' 59' ' ' LEU . 11.2 m -65.35 -43.23 94.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.945 0.403 . . . . 0.0 111.289 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -59.39 -42.7 92.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.768 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.71 -29.81 65.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.874 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.426 ' HA ' ' OH ' ' A' ' 91' ' ' TYR . 18.7 t -69.9 -33.52 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -39.61 95.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.899 0.38 . . . . 0.0 110.411 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.64 -43.81 9.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.553 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -50.65 72.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.2 mt -59.5 -32.07 69.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.416 HG21 ' CZ ' ' A' ' 43' ' ' TYR . 75.0 m -59.17 -36.13 74.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.382 . . . . 0.0 110.484 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -68.14 -60.95 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.944 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.3 p -52.45 -35.8 20.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.216 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -57.68 -49.33 76.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.699 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 8.3 mttt -65.46 -46.18 80.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -55.32 -24.01 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.039 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.406 HD13 ' CD1' ' A' ' 80' ' ' TYR . 59.7 mt -87.27 -29.75 21.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.838 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.85 -26.54 64.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.628 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -28.36 43.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.813 0.34 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.5 m -86.87 -34.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.222 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 79' ' ' LYS . 20.6 m-85 -88.11 -26.39 22.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.22 27.99 11.35 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.613 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.9 m -118.52 163.25 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 111.013 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -78.26 162.16 26.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.993 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.417 ' CG ' ' HE2' ' A' ' 33' ' ' LYS . 9.8 t80 -58.6 -34.15 70.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.782 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -80.59 -1.84 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.546 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.08 -30.73 22.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.78 0.324 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.429 HD11 ' CZ ' ' A' ' 80' ' ' TYR . 35.8 mm -68.33 -67.39 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.4 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 11.0 m-30 -137.86 157.32 46.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.711 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -90.86 165.06 13.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.4 m -56.24 -37.96 70.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.85 -25.79 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.268 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 m -73.4 -44.45 58.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.0 mt -59.54 -48.12 82.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -59.68 -31.1 69.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -60.14 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.746 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.427 HD23 ' CD1' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -55.38 -23.0 22.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.324 179.625 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.24 -47.21 13.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.978 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.75 -30.53 61.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.8 p -85.49 -50.3 7.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.493 HD12 ' CG ' ' A' ' 91' ' ' TYR . 0.0 OUTLIER 62.32 48.28 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.98 124.96 19.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.682 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.99 84.45 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 111.085 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.531 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -125.55 155.99 71.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.332 179.446 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -88.09 -48.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.647 2.232 . . . . 0.0 112.889 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -76.59 -33.83 58.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.39 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.5 t -57.0 -23.73 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.286 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 1.7 mt -91.17 -43.68 9.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.958 0.409 . . . . 0.0 110.634 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.9 tt -49.83 -38.47 35.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.355 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -71.17 -20.14 62.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.4 mm -65.63 134.8 29.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.688 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -53.99 110.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.073 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.23 -27.0 7.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.678 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 t -85.15 148.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.16 -177.06 5.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -68.31 -19.07 64.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.252 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -90.13 -47.22 7.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.767 0.318 . . . . 0.0 111.192 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -57.24 -41.84 80.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.131 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -76.26 -11.37 59.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.377 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -87.13 -46.3 9.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.665 0.269 . . . . 0.0 111.526 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 7.7 ptmt -91.37 -46.69 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.596 -179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.429 ' CZ ' HD11 ' A' ' 46' ' ' ILE . 19.8 m-85 -82.67 -25.12 33.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.273 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.76 -47.87 24.21 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.778 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.37 -23.59 57.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 111.262 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -95.38 -61.95 1.38 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.159 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.96 -58.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.276 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.4 mt -55.47 -28.55 22.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -33.52 67.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.96 0.41 . . . . 0.0 110.297 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.6 t -90.82 -19.67 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.415 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.527 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -85.73 -15.31 42.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.928 -179.437 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -57.08 -32.22 66.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.939 0.4 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -67.18 -25.17 66.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.382 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.527 ' CE2' ' HA ' ' A' ' 88' ' ' LEU . 2.6 m-30 -78.07 -38.48 44.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.743 0.306 . . . . 0.0 111.171 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.4 t -63.84 -29.16 70.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.85 -15.66 24.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.476 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -114.11 13.32 18.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.531 0.205 . . . . 0.0 111.457 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.6 t -88.13 -32.9 18.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.844 0.354 . . . . 0.0 110.972 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.0 m -98.74 107.71 44.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.86 -42.79 3.0 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.371 2.048 . . . . 0.0 112.332 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.02 149.47 33.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -82.39 -28.53 31.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.976 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 62.87 86.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 p . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.035 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.154 0 N-CA-C 112.878 -0.089 . . . . 0.0 112.878 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.8 pt 42.68 53.27 8.57 Favored Pre-proline 0 N--CA 1.465 0.294 0 CA-C-O 120.936 0.398 . . . . 0.0 111.705 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -68.87 133.94 28.57 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.535 2.157 . . . . 0.0 112.273 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -148.18 115.6 6.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -176.04 -41.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.16 155.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -160.33 -67.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.67 -51.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.09 118.95 31.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.188 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -165.12 87.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.751 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.36 -66.8 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.212 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.87 172.38 12.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.39 -39.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.9 t 69.12 -68.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.238 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.5 p -175.66 36.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -25.87 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -57.29 -32.47 66.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.039 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.03 -36.5 75.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.013 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.98 -29.19 55.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.026 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.413 ' CB ' HD11 ' A' ' 59' ' ' LEU . 83.1 mmm -73.7 -48.77 29.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.989 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.7 m -57.85 -42.91 83.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.885 0.374 . . . . 0.0 111.048 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -62.59 -41.27 98.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.653 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -30.45 69.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.75 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.24 -38.17 87.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.567 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.1 -43.03 99.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.24 -47.04 13.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.854 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -58.73 -51.88 68.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.324 . . . . 0.0 111.125 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.74 -32.26 65.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.417 HG21 ' CZ ' ' A' ' 43' ' ' TYR . 85.3 m -59.64 -40.74 88.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.887 0.375 . . . . 0.0 110.469 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -61.31 -59.32 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.742 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.7 p -54.04 -36.61 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.5 m -58.56 -55.15 38.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -57.47 -48.44 79.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.049 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -55.34 -27.66 48.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.426 HD11 ' CD1' ' A' ' 80' ' ' TYR . 31.6 mt -82.03 -29.47 31.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.403 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -76.32 -24.79 67.46 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.749 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -78.32 -30.53 48.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.804 0.335 . . . . 0.0 111.002 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.1 m -80.08 -34.77 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.283 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.421 ' CE1' ' HD2' ' A' ' 79' ' ' LYS . 30.3 m-85 -90.46 -26.82 19.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.19 26.32 14.45 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.532 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.403 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 30.2 m -111.69 175.08 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.021 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -87.9 161.88 17.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.02 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.417 ' CZ ' HG21 ' A' ' 29' ' ' THR . 11.6 t80 -56.65 -35.53 68.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.761 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -73.19 -27.74 61.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -58.35 -38.83 78.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.43 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 33.5 mm -65.59 -67.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.955 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.421 ' CG ' HG21 ' A' ' 51' ' ' THR . 6.2 m-30 -139.9 151.92 46.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.716 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -97.27 165.3 12.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.757 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.9 m -51.47 -30.64 20.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.2 m -71.21 -30.47 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.271 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.421 HG21 ' CG ' ' A' ' 47' ' ' PHE . 87.2 m -72.17 -58.36 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mt -51.24 -49.69 60.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.322 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -58.29 -36.5 73.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.809 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.31 -60.06 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.803 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.492 ' HG ' ' CD2' ' A' ' 66' ' ' LEU . 0.5 OUTLIER -56.42 -22.45 31.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.587 179.775 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.37 -53.6 9.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.709 0.29 . . . . 0.0 111.051 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -45.25 87.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -53.75 53.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.413 HD11 ' CB ' ' A' ' 20' ' ' MET . 0.4 OUTLIER 67.05 42.06 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 m -139.27 139.22 37.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.1 p -95.52 84.47 3.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.831 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.529 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -125.4 156.81 69.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.83 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -88.49 -48.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 122.673 2.249 . . . . 0.0 112.735 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -40.54 70.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 110.826 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.1 t -54.96 -27.19 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.895 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 56.2 mt -88.81 -23.89 22.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.323 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.97 -36.45 81.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.933 0.396 . . . . 0.0 110.695 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -78.24 -18.47 55.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.481 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.46 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 17.5 mm -63.65 144.1 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.93 0.395 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.26 128.14 35.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.0 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.56 -25.6 23.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.747 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.407 HG22 ' CE1' ' A' ' 47' ' ' PHE . 21.9 t -93.56 117.75 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 111.089 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.1 p -106.05 -171.0 1.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -70.52 -45.23 65.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.9 -31.16 71.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.04 -37.77 78.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.475 HD23 ' CD1' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -82.22 -15.99 51.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.347 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.1 -30.35 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.848 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HD2' ' CE1' ' A' ' 39' ' ' PHE . 27.1 ttpt -96.7 -57.71 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.233 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.43 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 25.4 m-85 -80.02 -24.57 40.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.511 -179.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.52 -33.07 11.24 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.76 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.93 -24.43 65.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.32 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.15 -61.76 1.39 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.129 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.415 HG12 ' CE2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -47.96 -58.18 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.328 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.434 ' HA ' ' HB2' ' A' ' 88' ' ' LEU . 19.3 mt -54.54 -25.99 15.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -34.8 75.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.023 0.439 . . . . 0.0 110.132 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.5 t -90.89 -22.52 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.412 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.478 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -78.99 -27.51 43.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.627 -179.48 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -47.33 -30.66 3.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.955 0.407 . . . . 0.0 111.161 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -68.06 -46.6 70.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.518 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.478 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 1.1 m-30 -58.93 -39.42 81.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.661 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.76 -27.27 67.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.701 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -82.25 -27.4 32.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -87.21 -33.78 19.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.985 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.3 t -66.8 -39.64 87.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.108 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.74 107.79 55.7 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.66 169.16 20.73 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.416 2.077 . . . . 0.0 112.322 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -169.37 -46.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.71 114.77 3.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.44 -51.22 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.16 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 28.0 mm -116.66 89.58 28.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.741 0.305 . . . . 0.0 111.104 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.78 116.63 4.54 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.563 2.175 . . . . 0.0 112.338 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -137.94 166.74 23.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -134.78 163.84 28.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.981 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -92.03 119.15 31.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.837 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -117.64 33.09 5.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -145.43 20.34 1.53 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.086 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 50.34 55.42 9.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 111.252 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 tp -77.91 158.08 29.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t 64.17 145.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.11 66.6 1.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -151.71 34.47 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.56 146.05 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.7 p -90.04 74.31 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -37.77 16.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.12 -36.77 29.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -60.05 -39.73 86.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.69 -32.24 62.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.778 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -52.74 62.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.956 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.404 ' HA ' ' CD2' ' A' ' 59' ' ' LEU . 4.5 m -63.21 -35.11 70.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.85 0.357 . . . . 0.0 111.083 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -62.53 -57.83 9.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.577 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -57.2 -28.44 62.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.664 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.414 ' HA ' ' OH ' ' A' ' 91' ' ' TYR . 25.6 t -64.6 -44.83 89.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.575 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.47 -33.65 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.673 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.01 -47.42 8.48 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.562 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.64 -51.96 67.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.791 0.329 . . . . 0.0 110.974 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.3 mt -56.52 -33.66 66.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 80.5 m -60.12 -31.89 70.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.36 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.0 -58.36 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.608 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.6 p -55.95 -34.14 37.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.1 m -57.12 -48.66 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.634 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' HE2' ' CD2' ' A' ' 43' ' ' TYR . 11.1 mttt -66.88 -42.4 85.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.743 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.7 m -57.57 -31.62 66.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.772 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.415 HD11 ' CD1' ' A' ' 80' ' ' TYR . 59.9 mt -76.76 -27.88 55.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.82 -19.84 79.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.727 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -90.12 -30.34 17.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 111.229 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.8 m -85.35 -29.63 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.362 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.42 ' CZ ' ' HG2' ' A' ' 79' ' ' LYS . 35.0 m-85 -96.28 -27.11 15.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.076 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.22 34.98 6.17 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.677 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.9 m -126.27 159.75 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.53 162.1 27.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.412 ' CD2' ' HE2' ' A' ' 33' ' ' LYS . 11.6 t80 -58.79 -25.15 62.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.048 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -91.48 15.32 12.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.353 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.09 -28.28 11.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.753 0.311 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.455 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 28.1 mm -70.89 -67.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.427 ' CE1' HG21 ' A' ' 72' ' ' VAL . 14.7 m-30 -137.94 166.25 24.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -100.51 165.19 11.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.0 m -53.92 -45.62 71.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.63 -25.36 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.3 m -72.49 -49.61 31.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.027 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.6 mt -56.65 -48.22 78.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.024 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.92 -26.49 62.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.919 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -66.09 -57.84 6.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.793 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 66' ' ' LEU . 1.9 mp -53.96 -25.32 20.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.272 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' O ' HD21 ' A' ' 59' ' ' LEU . . . -82.76 -51.03 8.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.304 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -47.27 -28.88 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.1 t -91.85 -45.75 8.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.452 HD21 ' O ' ' A' ' 56' ' ' ALA . 0.2 OUTLIER 66.43 45.88 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.027 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -139.04 136.37 35.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.726 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.01 84.04 3.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.937 0.399 . . . . 0.0 111.101 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.586 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -126.07 154.44 74.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.319 179.324 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -79.73 -46.47 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.737 2.291 . . . . 0.0 112.5 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.15 -36.7 74.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.351 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.0 t -55.15 -59.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.437 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 5.8 mt -57.64 -28.27 63.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.11 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -41.8 88.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.053 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -71.96 -17.68 62.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.395 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.476 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 23.5 mm -63.95 133.02 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 111.061 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -60.03 127.13 30.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.42 -28.37 15.76 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.427 HG21 ' CE1' ' A' ' 47' ' ' PHE . 25.0 t -91.47 116.92 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 111.086 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.6 p -106.61 -178.12 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.81 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -30.13 70.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -78.18 -33.86 49.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -69.01 -31.71 70.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.493 ' CD2' ' HB2' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -88.58 -16.53 32.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.15 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -91.24 -29.32 17.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.351 . . . . 0.0 111.064 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.42 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -96.52 -52.15 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.458 -179.754 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.455 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 27.7 m-85 -88.63 -24.86 22.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.525 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.433 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -47.5 -30.51 6.27 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.812 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.99 -29.0 67.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.756 0.312 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -92.87 -60.36 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.057 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.88 -63.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.21 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.0 mt -50.8 -26.7 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.269 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -60.37 -33.44 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.039 0.447 . . . . 0.0 110.273 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.3 t -90.66 -19.71 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.195 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.522 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -88.24 -12.82 42.63 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -179.181 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -54.42 -34.01 60.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.888 0.375 . . . . 0.0 111.106 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -67.26 -31.5 71.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 7.4 m-30 -65.83 -53.1 44.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.5 t -54.79 -30.25 56.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -76.76 -29.21 56.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -104.54 13.3 31.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.219 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 75.2 m -76.64 -31.45 57.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.909 0.385 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.9 m -113.37 115.97 46.8 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.58 -46.38 1.91 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.424 2.083 . . . . 0.0 112.297 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.14 107.27 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -92.9 96.57 10.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -163.7 -46.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.898 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.8 mt -113.95 88.24 14.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.647 0.261 . . . . 0.0 111.107 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -51.97 116.19 2.62 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.592 2.195 . . . . 0.0 112.263 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -145.25 135.36 23.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.922 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -73.62 85.21 1.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.31 89.15 1.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.816 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -143.32 35.11 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.68 131.55 43.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.99 170.23 17.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -130.51 155.31 46.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.005 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.1 p -130.94 -45.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.46 75.99 10.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.174 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -176.67 -40.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.2 m -128.24 159.02 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.56 85.65 2.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -91.44 -17.16 26.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.281 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 ptt-85 -56.4 -33.76 66.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.721 0.296 . . . . 0.0 111.398 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -60.31 -40.32 90.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.055 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -81.99 -29.81 31.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.403 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -66.82 -44.28 81.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.4 ' HA ' ' CD2' ' A' ' 59' ' ' LEU . 10.2 m -68.81 -44.4 81.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.184 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -44.43 95.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.034 0.445 . . . . 0.0 110.699 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -56.44 -30.47 62.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.708 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.4 t -69.66 -31.22 69.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.709 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -43.08 96.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.58 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.78 -43.7 14.03 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.437 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.26 -49.62 76.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.422 ' HA ' HG12 ' A' ' 31' ' ' VAL . 12.2 mt -59.82 -29.87 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.681 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.6 m -60.22 -37.24 79.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.109 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.87 -60.08 3.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.568 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 28' ' ' LEU . 2.8 p -50.49 -38.12 15.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.835 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.0 m -60.16 -51.16 70.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.579 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 6.0 mttt -61.12 -50.84 71.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.804 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.2 m -53.09 -29.18 29.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 52.3 mt -78.47 -24.37 46.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -80.81 -27.15 51.65 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.737 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -82.18 -31.92 30.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 111.12 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.6 m -79.36 -34.43 16.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.275 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.416 ' CZ ' ' HG2' ' A' ' 79' ' ' LYS . 34.6 m-85 -95.72 -27.14 15.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.028 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.04 26.7 13.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.4 m -112.93 158.11 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 111.068 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -70.14 162.4 28.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.056 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.412 ' CG ' ' HE2' ' A' ' 33' ' ' LYS . 7.8 t80 -61.65 -47.49 85.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.756 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -64.04 -29.15 70.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.36 -30.39 69.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.422 HD13 ' CE1' ' A' ' 80' ' ' TYR . 34.3 mm -67.32 -67.12 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.42 ' CG ' HG23 ' A' ' 51' ' ' THR . 12.9 m-30 -137.85 177.19 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -121.07 165.37 15.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.808 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -50.97 -34.78 30.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.144 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.5 m -71.13 -28.53 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.42 HG23 ' CG ' ' A' ' 47' ' ' PHE . 99.3 m -73.89 -54.77 7.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.8 mt -55.57 -48.62 74.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.143 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -58.64 -36.19 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.074 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -59.95 2.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.951 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.11 -23.54 21.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.203 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.88 -46.68 10.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.27 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -55.07 -29.52 57.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.086 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.0 -46.39 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.823 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.465 HD13 ' CG ' ' A' ' 91' ' ' TYR . 0.0 OUTLIER 63.98 52.67 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.115 0.483 . . . . 0.0 110.853 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 t -139.13 136.67 35.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.474 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.3 p -89.16 83.99 6.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.043 0.449 . . . . 0.0 111.304 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.506 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 88.6 m-20 -126.19 139.54 34.73 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.323 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 5.5 Cg_exo -76.61 -48.56 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.567 2.178 . . . . 0.0 112.451 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -69.28 -37.45 77.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.397 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.439 ' CG2' ' CB ' ' A' ' 62' ' ' ASP . 97.9 t -53.78 -44.66 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.604 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 1.6 mt -62.98 -34.54 77.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 110.49 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -40.8 69.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.146 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -71.6 -18.39 62.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.423 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 31.0 mm -68.84 135.86 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.22 127.96 34.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.81 -26.79 23.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.621 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.4 t -89.98 139.45 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 111.111 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.2 p -132.33 178.92 6.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.44 -38.41 87.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -68.61 -48.09 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -31.43 72.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 66' ' ' LEU . 0.5 OUTLIER -85.02 -22.13 29.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -85.19 -28.79 25.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.682 0.277 . . . . 0.0 111.248 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.416 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -96.16 -51.31 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 111.323 -179.787 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.422 ' CE1' HD13 ' A' ' 46' ' ' ILE . 22.1 m-85 -83.33 -13.0 55.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.603 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.4 ' HA2' ' CG2' ' A' ' 84' ' ' VAL . . . -53.38 -38.44 57.48 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.779 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.26 -28.57 69.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.699 0.285 . . . . 0.0 111.35 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.37 -57.84 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.457 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.415 HG23 HG12 ' A' ' 85' ' ' ILE . 33.2 m -47.24 -44.92 8.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.971 0.415 . . . . 0.0 111.54 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.415 HG12 HG23 ' A' ' 84' ' ' VAL . 2.0 mm -70.06 -25.94 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.295 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.9 t -59.71 -32.72 70.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.384 . . . . 0.0 110.5 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.2 t -90.46 -29.06 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.189 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.516 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -73.58 -22.85 59.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.426 -179.55 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -54.13 -25.11 20.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.702 0.287 . . . . 0.0 111.182 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -73.35 -29.62 62.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.168 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.516 ' CE2' ' HA ' ' A' ' 88' ' ' LEU . 2.0 m-30 -72.32 -53.28 12.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.079 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -57.96 -22.98 51.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.338 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -95.07 -17.56 21.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.385 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -105.36 -13.63 15.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.555 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 t -66.7 -32.21 73.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 111.146 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.5 m -93.83 126.89 47.65 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.76 136.87 21.51 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.448 2.099 . . . . 0.0 112.347 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.84 87.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -123.62 -46.54 2.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.956 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -160.03 133.03 6.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.6 pt -144.62 140.93 17.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.52 0.2 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.2 -31.33 65.47 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.395 2.064 . . . . 0.0 112.239 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.41 153.98 29.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -176.92 -65.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -100.93 -63.69 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -130.79 -176.24 3.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.28 -177.49 3.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.13 37.63 2.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.85 130.77 7.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.3 t -123.91 38.42 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -140.25 179.15 6.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.41 148.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -135.59 -45.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.8 t -99.83 31.53 3.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.47 -33.35 64.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.002 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -70.69 -39.21 73.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -35.39 78.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.65 -31.4 65.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.9 mtp -59.45 -57.16 14.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.8 m -59.19 -35.07 55.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.227 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -64.28 -61.67 2.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.595 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -54.12 -28.7 41.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.576 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.4 t -63.72 -44.63 93.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.382 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -36.48 69.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.709 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.21 -41.08 22.59 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.598 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -62.22 -54.33 42.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.347 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.7 -28.23 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.8 m -61.81 -42.75 99.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.4 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -61.0 -58.47 8.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.73 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.1 p -53.93 -38.01 35.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.977 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.4 m -58.97 -49.28 78.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -64.02 -45.23 89.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.898 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.1 m -56.2 -33.84 65.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.9 mt -73.43 -23.9 60.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.99 -45.16 27.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.789 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -64.47 -22.54 66.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.69 0.281 . . . . 0.0 111.403 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.3 m -92.18 -35.64 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.538 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CZ ' ' HG2' ' A' ' 79' ' ' LYS . 48.4 m-85 -100.41 17.48 21.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.319 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.02 25.12 9.49 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.063 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.9 m -112.49 149.7 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.059 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -71.38 162.29 29.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.288 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -54.68 -53.79 50.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.971 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -25.22 63.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.067 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -59.1 -42.89 91.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.447 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 46.7 mm -60.69 -67.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.99 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 16.5 m-30 -137.11 -179.88 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -118.34 165.05 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.643 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 m -54.76 -41.72 70.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.17 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.9 p -73.14 -26.83 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.335 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 m -73.76 -48.47 31.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.6 mt -57.05 -46.17 82.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.966 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -59.83 -29.74 68.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.816 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -63.16 -57.58 10.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.801 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.436 ' CG ' HD22 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -57.63 -25.31 59.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.324 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.445 ' O ' HD21 ' A' ' 59' ' ' LEU . . . -81.33 -50.02 10.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.014 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -48.65 -28.35 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.98 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.6 -44.77 8.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.726 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.457 HD13 ' CG ' ' A' ' 91' ' ' TYR . 0.2 OUTLIER 67.11 49.0 1.14 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.716 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -139.17 148.98 43.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.743 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.9 p -103.07 84.54 2.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 111.059 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.526 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 2.3 m-20 -125.63 155.11 72.8 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.805 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -89.24 -51.08 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.882 2.388 . . . . 0.0 112.806 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -40.34 78.07 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.773 0.321 . . . . 0.0 111.04 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.9 t -52.43 -26.29 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.723 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 25.5 mt -86.24 -29.68 22.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.042 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.41 -35.15 65.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.338 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.61 -21.53 44.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.108 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.467 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 17.3 mm -63.71 134.4 28.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.87 0.367 . . . . 0.0 110.961 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.47 116.78 7.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.981 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.21 -27.32 9.61 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.628 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.07 122.15 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 111.232 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.6 p -112.19 -177.41 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -66.62 -29.6 69.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -78.15 -34.97 49.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -71.33 -36.94 71.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.048 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.449 ' CD2' ' CD1' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -82.91 -11.85 57.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -91.15 -32.76 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.788 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.417 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -96.63 -48.28 5.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.263 -179.733 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.447 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 26.0 m-85 -87.29 -23.85 24.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.642 -179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.95 -27.09 4.74 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.949 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.58 -25.64 59.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.737 0.303 . . . . 0.0 111.164 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.18 -58.68 2.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.263 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.1 m -48.99 -54.34 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.506 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.409 HG22 HD12 ' A' ' 85' ' ' ILE . 23.4 mt -60.16 -26.03 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.5 t -59.98 -33.83 72.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.037 0.446 . . . . 0.0 110.322 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.8 t -90.68 -19.81 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.446 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.507 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -84.99 -21.95 29.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.759 -179.312 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -50.69 -32.66 20.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.898 0.38 . . . . 0.0 111.026 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -67.5 -30.93 70.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.507 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 8.2 m-30 -66.93 -53.44 31.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.8 t -54.26 -30.13 49.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -73.71 -27.97 61.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -99.05 -16.48 18.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.346 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.7 m -66.68 -29.31 69.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.853 0.358 . . . . 0.0 111.001 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.0 t -84.65 117.89 69.78 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.807 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.51 -6.92 19.56 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.467 2.111 . . . . 0.0 112.636 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -100.4 -53.13 3.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.822 0.344 . . . . 0.0 111.164 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -99.98 101.27 12.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -105.11 -59.36 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 112.627 -0.189 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.498 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 10.8 mm -83.45 -45.87 0.81 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.457 0.17 . . . . 0.0 111.392 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 2' ' ' ILE . 31.2 Cg_exo -59.41 130.17 34.55 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.299 1.999 . . . . 0.0 112.238 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -137.46 99.37 3.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -125.02 28.31 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.11 152.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -146.55 -54.31 0.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.3 113.22 2.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -133.4 136.77 45.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.8 mt -108.75 117.94 35.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.39 -66.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 59.1 42.69 18.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.176 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -68.59 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.57 75.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 m 59.13 84.51 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -74.43 -32.43 62.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -37.51 77.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.1 -29.5 61.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.434 ' HA ' ' CE ' ' A' ' 22' ' ' LYS . 6.9 tt0 -75.55 -22.27 57.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.34 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 60.0 mmm -82.95 -33.05 26.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.305 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.449 ' CG2' ' N ' ' A' ' 22' ' ' LYS . 1.5 m -73.59 -46.83 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.537 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.449 ' N ' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -65.12 -40.03 93.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.776 0.322 . . . . 0.0 110.676 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -31.16 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.467 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 59' ' ' LEU . 4.8 t -69.34 -34.78 75.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.51 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -40.9 93.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.764 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.23 -42.0 20.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.692 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -50.95 70.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 mt -59.42 -27.75 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.024 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 90.6 m -62.69 -44.03 97.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.918 0.39 . . . . 0.0 110.387 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.55 -58.11 9.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.805 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 p -50.94 -42.94 24.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.17 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.7 m -60.07 -49.81 76.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 27.1 mttt -59.69 -51.02 71.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.2 t -55.75 -30.57 61.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.423 HD13 ' CD1' ' A' ' 80' ' ' TYR . 52.0 mt -75.47 -26.17 57.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.824 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -80.69 -30.87 38.12 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.605 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.75 -27.35 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 0.0 110.985 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.9 m -86.81 -33.57 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.312 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.42 ' CE1' ' HE2' ' A' ' 79' ' ' LYS . 24.2 m-85 -94.02 -26.64 16.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.19 26.3 14.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.705 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.409 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 16.6 m -113.36 158.39 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.92 0.391 . . . . 0.0 111.053 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -70.09 162.0 29.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.406 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 12.7 t80 -61.17 -34.49 75.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.794 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -76.52 -28.34 56.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.003 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -58.07 -30.84 66.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.452 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 33.7 mm -70.57 -67.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.014 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.436 ' CD1' HG23 ' A' ' 51' ' ' THR . 9.1 m-30 -138.43 150.76 46.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -93.93 165.21 12.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.837 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 m -51.78 -34.8 41.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.1 m -69.88 -28.49 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.436 HG23 ' CD1' ' A' ' 47' ' ' PHE . 86.9 m -72.15 -59.18 2.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.4 mt -50.53 -47.88 57.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.223 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -35.23 74.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.746 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -56.77 8.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.69 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.49 ' HG ' ' CD2' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -60.78 -18.86 57.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.513 179.575 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.91 -54.49 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.327 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.54 -29.79 27.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.127 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.2 p -89.04 -52.6 4.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.486 HD11 ' CG ' ' A' ' 91' ' ' TYR . 0.1 OUTLIER 66.31 52.42 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.058 0.456 . . . . 0.0 110.81 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.16 134.68 33.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.585 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.39 84.58 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.128 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.509 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -125.69 155.1 72.98 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.681 179.433 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -88.8 -48.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.803 2.335 . . . . 0.0 112.825 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.25 -40.74 67.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.7 t -54.17 -25.89 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 29.4 mt -84.19 -29.92 26.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.91 -37.19 78.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.934 0.397 . . . . 0.0 110.861 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -75.01 -19.07 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.364 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.411 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 24.8 mm -63.96 137.78 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.907 0.384 . . . . 0.0 111.054 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.5 128.53 36.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.76 -27.88 14.48 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.529 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 t -86.23 133.19 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.323 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.6 p -129.39 -178.27 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -62.93 -32.32 73.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -74.17 -36.33 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.023 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -31.88 63.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.502 HD22 ' CD1' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -86.71 -19.88 28.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.077 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -91.26 -30.25 16.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.711 0.291 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.42 ' HE2' ' CE1' ' A' ' 39' ' ' PHE . 9.5 tttt -96.06 -58.26 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.345 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.452 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 27.5 m-85 -83.74 -6.6 59.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.595 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.9 -47.64 87.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.745 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.76 -26.29 33.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.639 0.257 . . . . 0.0 111.627 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.19 -61.35 1.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.702 0.287 . . . . 0.0 111.467 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 28.8 m -47.44 -45.53 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-O 120.859 0.361 . . . . 0.0 111.314 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.3 mm -65.94 -30.22 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.219 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -57.62 -32.21 67.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.917 0.389 . . . . 0.0 110.464 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.0 t -90.42 -22.15 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.262 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.509 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.4 OUTLIER -78.77 -28.87 44.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.522 -179.638 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -49.68 -28.14 5.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -72.24 -30.3 64.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.016 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.509 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 3.4 m-30 -73.03 -45.17 59.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.047 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.9 m -62.26 -25.22 67.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.51 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -95.65 -26.15 15.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.585 0.231 . . . . 0.0 111.438 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -98.27 -8.27 27.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.433 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.2 t -66.86 -42.45 85.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 111.15 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.18 134.24 19.99 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.95 -167.2 0.4 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.537 2.158 . . . . 0.0 112.255 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 63.32 122.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.8 142.67 28.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -161.26 154.49 21.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.2 p . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.917 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -134.87 63.99 60.54 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 0.0 111.137 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.66 -60.0 0.79 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.586 2.191 . . . . 0.0 112.267 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.47 123.87 44.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -176.74 -40.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -116.02 102.33 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -125.54 162.5 24.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -72.06 127.72 33.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.92 -67.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -134.57 165.94 24.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 m -126.51 143.96 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.71 119.72 35.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.62 -31.42 11.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -120.28 157.72 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.63 84.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -32.3 60.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -29.09 67.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.28 -44.86 90.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.64 -24.83 53.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.416 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 78.6 mmm -70.66 -44.58 66.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.472 ' HA ' HD21 ' A' ' 59' ' ' LEU . 9.4 m -67.53 -38.58 80.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.395 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -51.08 68.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.996 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.07 -27.7 34.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.174 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.404 ' HB2' ' CD2' ' A' ' 59' ' ' LEU . 17.3 t -70.9 -38.3 72.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.099 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.49 -37.05 82.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.865 0.364 . . . . 0.0 110.729 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.79 -49.29 7.21 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.721 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -58.35 -47.35 84.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.337 . . . . 0.0 110.988 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.3 -30.91 69.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.07 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.0 m -59.96 -44.59 94.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.814 0.34 . . . . 0.0 110.454 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -59.56 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.815 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 p -52.77 -38.36 27.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -58.0 -53.98 52.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -60.08 -46.89 88.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.927 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 m -54.61 -29.76 52.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.3 mt -81.2 -21.04 39.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.048 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.414 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -83.87 -38.08 10.84 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.766 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -22.14 60.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.722 0.296 . . . . 0.0 111.185 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m -90.51 -32.19 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.439 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -96.35 -22.06 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.175 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.4 23.4 21.83 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.77 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.414 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 29.3 m -115.07 149.46 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.72 161.81 19.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.195 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -56.43 -53.23 59.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.821 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.7 -26.38 65.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.987 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -36.44 72.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.999 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.454 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 34.8 mm -66.12 -67.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.065 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.424 ' CG ' HG23 ' A' ' 51' ' ' THR . 11.8 m-30 -137.67 143.79 41.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.65 165.33 21.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.756 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m -51.28 -47.41 62.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.063 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.9 p -70.7 -21.83 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.283 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.424 HG23 ' CG ' ' A' ' 47' ' ' PHE . 25.6 m -73.12 -51.13 19.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.104 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.17 -51.02 71.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.036 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -54.27 -27.82 37.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.886 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -66.59 -59.07 3.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.554 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.427 ' HG ' ' CD2' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -58.06 -21.76 47.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.286 179.345 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.74 -49.76 11.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.55 -33.81 64.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -83.49 -50.35 8.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.485 HD13 ' CG ' ' A' ' 91' ' ' TYR . 0.0 OUTLIER 63.96 49.12 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.903 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -139.0 124.85 19.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.729 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.59 84.7 5.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.096 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.519 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -125.39 156.16 70.61 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.593 179.703 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -88.94 -50.42 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.754 2.302 . . . . 0.0 112.953 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -39.42 67.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.721 0.296 . . . . 0.0 111.381 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.7 t -53.09 -25.31 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 25.6 mt -85.52 -30.37 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -36.71 71.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.737 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -75.29 -21.27 58.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.449 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 20.6 mm -63.89 142.74 16.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.88 0.371 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -66.81 131.05 45.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.91 -34.93 4.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.575 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.8 t -79.37 137.74 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.811 0.338 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 p -133.1 -177.6 4.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -32.63 72.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.147 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -77.36 -29.54 53.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.186 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.96 -31.44 22.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.451 HD21 ' CD1' ' A' ' 66' ' ' LEU . 1.1 tm? -81.54 -27.01 34.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -86.3 -23.79 26.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -96.06 -54.68 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.221 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.454 ' CZ ' ' CD1' ' A' ' 46' ' ' ILE . 24.1 m-85 -82.26 -23.84 35.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.412 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -47.04 -28.98 4.35 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.982 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.57 -27.74 64.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.74 0.305 . . . . 0.0 111.345 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -95.98 -59.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.202 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.2 m -48.19 -54.29 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.429 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.401 HD12 HG23 ' A' ' 85' ' ' ILE . 21.7 mt -58.23 -28.36 34.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -33.66 70.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.024 0.44 . . . . 0.0 110.292 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.1 t -90.66 -19.94 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.495 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.51 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -85.18 -19.16 32.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.299 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.83 -28.94 53.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.858 0.361 . . . . 0.0 111.052 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -69.96 -30.04 67.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.313 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.51 ' CE2' ' HA ' ' A' ' 88' ' ' LEU . 3.4 m-30 -70.95 -52.62 18.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 0.0 110.984 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.0 p -55.23 -25.94 36.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -91.55 -25.51 19.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.175 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -106.35 13.27 28.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.344 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.3 t -97.42 -31.1 12.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.773 0.32 . . . . 0.0 111.121 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.9 p -96.76 107.46 37.02 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.09 103.74 1.79 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.496 2.131 . . . . 0.0 112.39 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -164.84 -70.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -97.46 130.39 44.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.05 101.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.329 -0.844 . . . . 0.0 110.875 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 pt -145.92 136.16 12.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.599 0.237 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.58 99.84 1.31 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.52 2.146 . . . . 0.0 112.348 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.03 158.44 43.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.4 t80 61.01 159.79 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.1 mttt 62.21 -81.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.042 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 57.43 22.13 7.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.131 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 52.83 -178.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.13 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.67 -61.57 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 tt -177.04 109.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.9 p -144.15 147.8 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.051 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.44 -56.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.02 30.1 19.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.028 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.3 m -89.7 76.51 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.012 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.87 16.39 9.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.279 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -91.55 -32.91 15.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.905 0.384 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -71.64 -54.35 10.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.48 -29.92 66.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -75.66 -26.97 58.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.422 ' HE3' ' CG ' ' A' ' 94' ' ' TRP . 73.6 mmm -74.68 -50.37 17.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.067 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.3 m -55.9 -43.64 75.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.888 0.375 . . . . 0.0 110.882 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -63.31 -40.38 97.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.083 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -31.61 71.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.495 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.7 t -62.54 -39.8 94.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.211 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.25 -35.32 78.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.673 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.45 -56.99 3.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.693 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -54.4 -41.94 69.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.334 . . . . 0.0 111.062 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.427 ' CD2' HG23 ' A' ' 84' ' ' VAL . 16.2 mt -63.58 -30.61 71.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.4 m -62.62 -32.8 73.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.5 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.06 -58.26 4.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.797 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -54.15 -30.83 20.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.92 0.39 . . . . 0.0 111.07 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.5 m -65.26 -39.93 93.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.57 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HE2' ' CD1' ' A' ' 43' ' ' TYR . 10.8 mttt -74.57 -44.94 48.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.811 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 m -55.88 -33.21 64.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.814 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 66.1 mt -74.09 -28.34 61.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.693 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.403 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -78.73 -35.84 30.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.547 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -74.85 -27.87 60.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.726 0.298 . . . . 0.0 111.038 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.8 m -84.4 -45.35 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.434 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.408 ' CE2' ' HE3' ' A' ' 79' ' ' LYS . 47.2 m-85 -86.43 -26.23 24.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.28 25.39 16.56 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.717 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.403 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 15.8 m -109.53 152.75 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.983 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -60.87 160.44 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.197 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.416 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 11.3 t80 -59.59 -51.28 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.715 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -66.13 -17.46 64.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.235 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -30.13 67.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.238 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.443 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 15.8 mm -75.4 -67.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.251 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 22.7 m-85 -139.82 158.32 44.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -93.99 165.2 12.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.3 m -56.05 -39.7 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.1 p -74.1 -24.69 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.2 m -74.51 -48.34 27.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.099 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.1 mt -58.82 -46.42 87.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -58.95 -32.77 69.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.955 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -58.54 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.835 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.71 -22.07 44.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.364 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.44 -55.16 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.262 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.74 -32.55 59.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.5 p -75.35 -46.5 32.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.768 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.95 41.98 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.04 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 p -139.15 135.32 33.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.772 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.1 t -93.99 85.3 4.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.529 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.4 m-20 -124.65 156.48 68.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.673 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -87.83 -47.33 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.87 2.38 . . . . 0.0 113.058 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.9 -40.58 60.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.4 t -50.42 -26.26 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.15 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 3.8 mt -88.05 -30.85 19.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.725 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.24 -37.09 54.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -77.33 -23.97 50.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.885 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.436 ' CG1' ' HA ' ' A' ' 66' ' ' LEU . 18.5 mm -63.64 136.26 26.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -65.28 127.81 33.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 104.56 -32.83 7.1 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 t -83.33 138.15 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.1 -176.58 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -69.41 -30.83 68.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -77.6 -35.33 52.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -71.05 -39.9 71.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.408 ' CD2' ' CD1' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -82.7 -11.92 57.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.318 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -84.14 -41.47 17.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.756 0.312 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.408 ' HE3' ' CE2' ' A' ' 39' ' ' PHE . 21.8 ttpt -93.43 -57.95 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.092 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.434 ' CE1' HD13 ' A' ' 46' ' ' ILE . 12.2 m-85 -70.96 -11.32 60.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.294 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.81 -14.29 36.53 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.096 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.5 -25.66 15.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.936 0.368 . . . . 0.0 111.687 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.57 -69.89 0.74 Allowed 'General case' 0 C--O 1.233 0.228 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.427 HG23 ' CD2' ' A' ' 28' ' ' LEU . 7.2 p -53.75 -32.78 21.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.719 -179.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.1 mm -72.01 -33.37 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.518 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 t -57.93 -30.31 65.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.146 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.5 t -82.11 -21.3 9.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.892 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.485 ' HA ' ' CE2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -84.51 -25.05 29.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.436 -179.658 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -51.48 -31.81 24.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 110.738 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -65.17 -45.04 86.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.755 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.485 ' CE2' ' HA ' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -60.49 -38.48 84.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.527 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.2 t -58.41 -30.34 66.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.856 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.32 -28.58 34.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.422 ' CG ' ' HE3' ' A' ' 20' ' ' MET . 32.8 m95 -81.35 -36.96 29.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.1 t -71.1 -17.4 62.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.378 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -83.71 137.21 41.38 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.942 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -77.74 61.28 7.49 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.668 2.245 . . . . 0.0 112.407 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -173.04 145.92 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -152.19 104.03 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.1 69.67 1.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 53.4 p . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.952 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.597 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.79 0.328 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.79 -43.64 94.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -20.24 59.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.044 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.549 ' CB ' HD11 ' A' ' 59' ' ' LEU . 67.5 mmm -79.07 -42.52 26.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.214 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.746 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 5.7 m -65.88 -36.51 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 110.773 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -63.69 -46.87 83.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.479 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -32.11 67.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.617 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.39 -37.58 87.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.3 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.08 -40.19 92.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.654 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.28 -53.77 5.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.671 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.642 ' HB3' HG11 ' A' ' 87' ' ' VAL . 0.5 OUTLIER -53.87 -46.74 71.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.78 0.324 . . . . 0.0 111.038 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' ' 55' ' ' LEU . 12.2 mt -59.59 -30.57 68.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 m -59.31 -47.47 85.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.549 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -58.42 -59.94 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.664 HG23 ' OE1' ' A' ' 83' ' ' GLU . 4.1 p -51.62 -40.41 25.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.2 m -59.93 -51.02 71.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.731 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -59.43 -48.7 80.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.764 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 m -57.4 -30.47 64.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.843 HD21 ' HG3' ' A' ' 83' ' ' GLU . 33.2 mt -75.97 -30.15 58.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.64 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -72.97 -46.96 26.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.595 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -59.96 -24.07 64.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.66 0.267 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.85 -34.19 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.443 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -96.22 18.0 14.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.331 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.97 39.42 40.59 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.996 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.64 HG23 ' HA2' ' A' ' 36' ' ' GLY . 5.6 m -132.99 162.33 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.897 0.379 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.41 162.39 23.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.214 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -52.72 -54.57 31.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.033 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -58.86 -23.28 60.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -63.91 -29.83 70.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.113 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.487 HD12 ' CZ ' ' A' ' 80' ' ' TYR . 29.9 mm -71.86 -67.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.259 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.756 ' CE2' HG11 ' A' ' 84' ' ' VAL . 8.3 m-30 -138.19 143.88 40.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -84.68 165.35 17.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.459 ' HA ' HD12 ' A' ' 52' ' ' LEU . 1.8 m -49.09 -43.83 41.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.106 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 m -63.09 -30.04 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.613 HG21 ' CG ' ' A' ' 47' ' ' PHE . 99.1 m -75.39 -50.03 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 49' ' ' THR . 6.0 mt -52.8 -45.88 67.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.048 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -66.54 -36.38 82.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.767 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.923 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -60.93 -55.78 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.776 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.553 ' CD1' HD22 ' A' ' 66' ' ' LEU . 6.3 mp -53.0 -25.3 11.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.103 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.746 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -88.71 -59.08 2.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.618 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -44.54 -30.19 0.85 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.218 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 t -90.57 -41.45 11.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.661 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.739 ' HG ' HG12 ' A' ' 21' ' ' VAL . 8.0 mt 59.45 26.28 15.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 m -122.18 121.19 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.32 84.32 7.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.785 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.56 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -125.25 147.76 58.5 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.785 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 4.6 Cg_exo -75.78 -43.47 0.34 Allowed 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.516 2.144 . . . . 0.0 112.153 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.19 -35.59 61.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.56 HG23 ' HB3' ' A' ' 62' ' ' ASP . 23.0 t -68.72 -43.38 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.973 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.816 ' HB2' HD21 ' A' ' 77' ' ' LEU . 36.3 mt -73.69 -17.87 61.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.252 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.638 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -74.06 -36.34 64.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.88 0.372 . . . . 0.0 110.866 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.35 -3.68 34.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.712 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.923 HD12 ' HB3' ' A' ' 54' ' ' LYS . 26.3 mm -63.72 145.81 13.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.845 0.355 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -65.31 114.74 4.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.031 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.68 -34.83 5.42 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.637 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.439 ' CG2' HG23 ' A' ' 51' ' ' THR . 35.2 t -72.83 140.77 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.927 0.394 . . . . 0.0 111.218 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.5 p -131.84 -178.52 4.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.764 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.617 ' HA ' HD21 ' A' ' 67' ' ' LEU . 11.5 tt0 -62.76 -29.77 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -77.22 -28.73 53.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -81.32 -33.97 32.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.04 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.816 HD21 ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -81.08 -20.47 41.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -91.17 -29.3 17.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.47 -58.17 2.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.305 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.819 ' O ' HG22 ' A' ' 84' ' ' VAL . 24.3 m-85 -81.48 -28.0 34.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.423 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.422 ' HA2' HG23 ' A' ' 84' ' ' VAL . . . -47.03 -43.92 18.16 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.894 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.61 -27.82 63.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.712 0.291 . . . . 0.0 111.23 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.843 ' HG3' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.28 -60.95 1.51 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.273 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 80' ' ' TYR . 0.7 OUTLIER -50.69 -44.9 26.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.522 -179.62 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.555 HD11 HD11 ' A' ' 77' ' ' LEU . 43.0 mt -67.98 -29.84 46.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.691 0.282 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.4 t -56.3 -30.67 62.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.034 0.445 . . . . 0.0 110.318 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.642 HG11 ' HB3' ' A' ' 27' ' ' GLU . 21.7 t -90.73 -19.51 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.416 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.645 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -87.01 -21.11 26.33 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.205 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.51 -36.61 55.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.0 0.428 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -59.93 -45.21 93.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.692 ' HB3' HD22 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -60.21 -39.6 87.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.55 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.21 -29.5 58.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.747 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.895 179.666 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.813 0.339 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.34 -30.38 68.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -78.26 -30.3 48.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.926 ' HB3' HD11 ' A' ' 59' ' ' LEU . 55.0 mmm -73.63 -47.83 37.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.73 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 18.5 m -58.24 -41.81 81.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.95 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 21' ' ' VAL . 7.7 mmpt? -60.96 -40.52 93.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.558 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -59.56 -30.44 68.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.595 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.431 ' HG ' ' HE2' ' A' ' 91' ' ' TYR . 15.3 t -67.81 -35.15 78.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.456 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.14 -43.49 98.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.716 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.37 -45.45 14.46 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.701 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' HB3' HG11 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -59.48 -50.55 73.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.047 -179.775 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.43 ' HA ' HG12 ' A' ' 31' ' ' VAL . 13.1 mt -59.35 -28.07 66.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.761 HG23 ' OH ' ' A' ' 43' ' ' TYR . 87.4 m -61.73 -45.0 95.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.874 0.368 . . . . 0.0 110.394 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -59.69 -58.74 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.778 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 ' OE1' ' A' ' 83' ' ' GLU . 7.3 p -54.48 -34.16 28.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.903 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -63.5 -53.19 55.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.615 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HE2' ' CE2' ' A' ' 43' ' ' TYR . 16.2 mttt -59.26 -51.46 69.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -56.11 -29.72 61.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.571 HD21 ' HG3' ' A' ' 83' ' ' GLU . 18.4 mt -71.29 -27.25 63.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.431 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -77.74 -34.29 39.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.77 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.84 -26.46 59.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.16 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -87.17 -36.28 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.388 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.432 ' CZ ' ' HG3' ' A' ' 79' ' ' LYS . 26.9 m-85 -92.02 -25.19 18.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.35 28.35 10.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.644 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.464 HG23 HD11 ' A' ' 46' ' ' ILE . 10.8 m -119.07 161.06 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.846 0.355 . . . . 0.0 111.002 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.44 162.41 29.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.057 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.761 ' OH ' HG23 ' A' ' 29' ' ' THR . 8.1 t80 -58.6 -50.81 72.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.75 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -28.42 69.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.066 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.98 -29.1 66.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.021 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.464 HD11 HG23 ' A' ' 41' ' ' VAL . 25.0 mm -69.25 -67.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.915 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.723 ' HE2' HG11 ' A' ' 84' ' ' VAL . 9.1 m-30 -138.99 173.72 11.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.729 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.89 165.21 12.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.764 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.7 m -53.07 -34.12 55.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.954 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.8 p -73.51 -29.82 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.565 HG21 ' CG ' ' A' ' 47' ' ' PHE . 97.8 m -69.4 -54.33 14.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -54.27 -50.37 67.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.93 -31.42 64.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.645 ' CG ' HD12 ' A' ' 69' ' ' ILE . 2.2 tptt -69.69 -59.35 3.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.683 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.86 HD21 HD13 ' A' ' 66' ' ' LEU . 1.1 mp -56.32 -22.63 31.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.111 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.73 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -76.31 -59.24 2.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.75 -34.77 40.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.039 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -68.81 -51.05 44.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.71 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.926 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.2 OUTLIER 63.94 41.19 6.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.736 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.6 m -139.11 144.62 38.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.78 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -98.35 84.5 3.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.059 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 55.5 m-20 -125.37 156.49 70.08 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.543 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -87.82 -49.85 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.738 2.292 . . . . 0.0 112.912 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -37.26 66.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.835 0.35 . . . . 0.0 111.411 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.423 HG23 ' HB3' ' A' ' 62' ' ' ASP . 47.7 t -53.31 -26.06 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.864 HD12 HD21 ' A' ' 77' ' ' LEU . 12.8 mt -86.34 -28.83 23.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.036 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.639 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -57.93 -37.96 75.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.945 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -73.46 -10.18 59.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.326 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.645 HD12 ' CG ' ' A' ' 54' ' ' LYS . 19.4 mm -74.02 136.78 24.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.863 0.363 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.45 125.22 22.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.01 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.89 -31.55 8.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.585 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.465 ' CG2' HG23 ' A' ' 51' ' ' THR . 9.8 t -85.07 114.0 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 0.0 111.064 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.27 -176.88 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.494 ' HA ' HD21 ' A' ' 67' ' ' LEU . 7.1 mm-40 -67.55 -19.62 65.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -90.04 -38.0 13.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.926 0.393 . . . . 0.0 111.215 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -67.78 -37.05 81.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.864 HD21 HD12 ' A' ' 66' ' ' LEU . 1.1 tm? -78.45 -24.05 46.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.414 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -87.47 -27.14 22.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.659 0.266 . . . . 0.0 111.485 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.432 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -96.38 -24.86 15.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.731 -179.527 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.819 ' O ' HG22 ' A' ' 84' ' ' VAL . 43.5 m-85 -114.16 -23.08 9.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -45.75 -39.76 8.61 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.112 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.62 -27.13 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.778 0.323 . . . . 0.0 111.288 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.571 ' HG3' HD21 ' A' ' 35' ' ' LEU . 5.3 mm-40 -96.27 -60.29 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.274 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -47.28 -55.36 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.386 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.2 mt -57.51 -29.84 34.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.082 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.1 t -56.41 -32.74 65.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.966 0.413 . . . . 0.0 110.438 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.423 HG11 ' HB3' ' A' ' 27' ' ' GLU . 15.4 t -90.58 -19.8 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.345 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.756 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -86.01 -15.4 41.56 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.301 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.72 -35.62 61.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.824 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -63.96 -43.5 95.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.756 ' HD2' HD23 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -60.5 -41.56 94.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.666 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -31.9 63.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.666 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.798 179.755 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.867 0.365 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.98 -56.59 15.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -60.16 -26.3 66.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.6 mtp -62.57 -63.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.343 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.579 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 2.9 m -52.24 -43.53 39.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.731 0.301 . . . . 0.0 111.238 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -59.74 -48.68 80.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.035 0.445 . . . . 0.0 110.376 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -32.48 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.47 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.456 ' HA ' ' OH ' ' A' ' 91' ' ' TYR . 10.3 t -68.19 -34.28 75.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.602 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.29 -38.56 87.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.533 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.31 -43.84 12.32 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.56 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.515 ' HB3' HG11 ' A' ' 87' ' ' VAL . 26.2 mt-10 -60.08 -50.88 71.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 55' ' ' LEU . 13.0 mt -59.27 -31.07 68.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.511 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 95.1 m -60.09 -36.83 78.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.511 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.84 -59.1 3.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.738 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.546 HG23 ' HG3' ' A' ' 83' ' ' GLU . 4.3 p -52.48 -38.41 26.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.142 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.5 m -58.45 -50.67 72.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 6.7 mttt -60.3 -49.85 75.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.667 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -55.78 -25.41 40.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.874 HD11 ' HB3' ' A' ' 83' ' ' GLU . 40.1 mt -81.83 -29.66 32.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.19 -28.73 61.57 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.768 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -30.08 54.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 111.089 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -83.14 -34.38 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.266 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CZ ' ' HE3' ' A' ' 79' ' ' LYS . 21.2 m-85 -90.35 -25.96 20.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.005 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.11 18.38 36.99 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.636 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -106.94 175.16 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.789 0.328 . . . . 0.0 111.008 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -89.48 162.08 15.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.511 ' CZ ' HG23 ' A' ' 29' ' ' THR . 7.6 t80 -54.61 -49.59 70.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -25.32 68.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.999 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -62.6 -31.08 71.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.164 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.499 HD12 ' CZ ' ' A' ' 80' ' ' TYR . 30.1 mm -68.97 -67.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.191 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.8 ' CE2' HG11 ' A' ' 84' ' ' VAL . 6.7 m-30 -137.27 159.31 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.983 0.421 . . . . 0.0 111.002 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -100.23 165.38 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.8 m -48.45 -42.56 32.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.233 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.8 m -65.76 -34.93 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.619 HG21 ' CD1' ' A' ' 47' ' ' PHE . 89.4 m -69.7 -46.93 64.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.6 mt -57.37 -44.0 84.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.15 -32.54 71.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.783 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.911 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -67.26 -55.01 15.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.59 ' HG ' HD22 ' A' ' 66' ' ' LEU . 6.6 mp -52.79 -26.05 13.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.009 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.579 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -90.01 -58.37 2.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.469 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -40.09 -32.44 0.17 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.618 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.8 t -86.05 -42.21 14.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.809 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.2 OUTLIER 63.05 36.53 12.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.3 130.95 27.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.33 84.58 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.64 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.6 m-20 -125.42 148.7 62.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 3.2 Cg_exo -74.7 -52.65 0.11 Allowed 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.529 2.153 . . . . 0.0 112.134 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -65.38 -32.43 74.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.64 HG23 ' HB3' ' A' ' 62' ' ' ASP . 23.0 t -71.78 -48.05 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.015 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.804 ' HB2' HD21 ' A' ' 77' ' ' LEU . 35.5 mt -70.67 -17.86 62.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.326 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.768 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -75.67 -36.38 60.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 179.807 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -75.44 -3.38 33.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.728 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.911 HD12 ' HB3' ' A' ' 54' ' ' LYS . 31.7 mm -63.83 149.18 10.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -68.28 116.37 8.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.29 -30.6 10.03 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.609 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.442 ' CG2' HG23 ' A' ' 51' ' ' THR . 24.4 t -78.42 121.33 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 111.167 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.7 p -107.79 -177.63 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.767 ' HA ' HD21 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -63.34 -25.5 68.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -83.38 -27.37 29.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.219 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -74.71 -37.6 62.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.187 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -79.56 -21.45 45.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -91.58 -28.81 17.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.261 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.406 ' HE3' ' CZ ' ' A' ' 39' ' ' PHE . 19.4 ttpt -96.12 -58.34 2.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.461 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.649 ' CD1' HD13 ' A' ' 35' ' ' LEU . 14.6 m-85 -82.01 -27.57 33.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.304 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.83 -27.97 5.14 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.725 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.37 -28.25 66.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.774 0.321 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.874 ' HB3' HD11 ' A' ' 35' ' ' LEU . 2.5 tp10 -96.36 -61.92 1.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.272 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.8 HG11 ' CE2' ' A' ' 47' ' ' PHE . 3.3 m -48.19 -54.17 4.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.544 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.533 HD11 HD11 ' A' ' 77' ' ' LEU . 35.9 mt -57.88 -28.6 33.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.703 0.287 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -33.24 68.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.025 0.441 . . . . 0.0 110.177 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.515 HG11 ' HB3' ' A' ' 27' ' ' GLU . 14.5 t -90.62 -19.63 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.314 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.709 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -87.23 -14.0 42.25 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.159 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -55.36 -37.62 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.879 0.371 . . . . 0.0 110.965 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -62.62 -27.51 69.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.186 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.809 ' HB3' HD13 ' A' ' 59' ' ' LEU . 7.3 m-30 -71.0 -52.14 21.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.848 0.356 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.95 -25.76 12.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.006 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.773 0.321 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -62.17 -35.1 77.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.14 -23.27 57.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.955 ' HB3' HD11 ' A' ' 59' ' ' LEU . 80.8 mmm -76.76 -50.37 13.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.065 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.672 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 21.9 m -57.03 -41.48 77.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.94 0.4 . . . . 0.0 110.802 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.43 ' N ' HG23 ' A' ' 21' ' ' VAL . 7.6 mmtp -64.38 -40.8 96.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.402 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -60.35 -28.56 68.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.664 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.1 t -69.01 -37.38 78.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.463 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -45.74 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.71 -43.49 23.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.824 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.484 ' HB3' HG11 ' A' ' 87' ' ' VAL . 2.6 mm-40 -59.05 -51.2 71.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 111.003 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' HA ' HG12 ' A' ' 31' ' ' VAL . 13.3 mt -59.5 -28.56 67.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.039 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.5 m -61.58 -40.1 93.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 110.639 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -65.53 -58.51 5.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.832 HG23 ' OE2' ' A' ' 83' ' ' GLU . 5.6 p -52.68 -33.24 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.961 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -62.92 -55.43 26.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.691 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -58.53 -46.74 86.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.7 t -56.63 -30.87 63.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.771 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.764 HD13 ' CD1' ' A' ' 80' ' ' TYR . 18.5 mt -77.44 -28.78 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.443 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -76.81 -48.48 8.66 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.592 -0.814 . . . . 0.0 112.658 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.667 ' HE2' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -56.31 -23.25 35.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.649 0.261 . . . . 0.0 111.177 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.667 HG13 ' HE2' ' A' ' 37' ' ' LYS . 25.3 m -92.0 -29.58 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.435 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.442 ' CE1' ' HE3' ' A' ' 79' ' ' LYS . 28.6 m-85 -103.6 13.79 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.477 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.8 33.44 55.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.068 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.443 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 24.3 m -124.68 138.15 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.934 0.397 . . . . 0.0 111.037 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -57.44 162.2 3.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.353 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -56.04 -50.17 71.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.865 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -58.87 -27.43 65.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.79 -29.2 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.447 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 24.5 mm -73.99 -67.35 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.685 ' CE2' HG11 ' A' ' 84' ' ' VAL . 11.1 m-30 -137.97 171.44 14.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.944 0.402 . . . . 0.0 111.043 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -114.08 165.36 12.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.4 m -52.18 -32.29 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.1 m -73.22 -27.76 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.287 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.619 HG21 ' CG ' ' A' ' 47' ' ' PHE . 54.3 m -73.0 -57.05 4.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 mt -53.02 -49.12 66.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -57.67 -33.54 68.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.872 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -70.07 -57.18 5.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.637 HD11 HD22 ' A' ' 66' ' ' LEU . 1.2 mp -59.33 -20.04 51.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.53 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.672 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -77.51 -56.04 4.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.705 0.288 . . . . 0.0 111.027 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.08 -43.54 82.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 m -61.43 -52.78 63.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.955 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER 65.61 36.42 6.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.2 m -133.1 137.12 46.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.5 p -93.03 84.92 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.571 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -125.21 156.39 69.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.853 179.788 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -88.48 -51.25 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.845 2.363 . . . . 0.0 112.666 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -69.35 -43.58 73.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.053 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.3 t -52.76 -26.07 9.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.014 0.435 . . . . 0.0 111.0 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.637 HD22 HD11 ' A' ' 55' ' ' LEU . 91.3 mt -84.69 -28.88 26.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.204 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.64 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -60.34 -36.82 78.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.678 179.81 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -74.19 -19.24 60.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.255 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.872 HD12 ' HB3' ' A' ' 54' ' ' LYS . 19.5 mm -63.74 135.1 28.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.27 128.68 37.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.987 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.85 -25.71 22.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.659 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.504 ' CG2' HG23 ' A' ' 51' ' ' THR . 10.8 t -88.82 115.58 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.063 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.76 -179.62 4.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.593 ' CG ' HD21 ' A' ' 67' ' ' LEU . 74.5 mt-10 -68.74 -29.64 68.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -77.74 -35.46 51.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -73.57 -31.74 63.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.973 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -81.03 -25.24 37.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.018 -179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -90.99 -22.34 20.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.238 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.442 ' HE3' ' CE1' ' A' ' 39' ' ' PHE . 3.5 tttt -96.43 -44.06 7.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.594 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.764 ' CD1' HD13 ' A' ' 35' ' ' LEU . 29.7 m-85 -98.58 -22.61 15.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.76 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -47.07 -27.58 3.64 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.988 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.15 -28.89 64.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.687 0.28 . . . . 0.0 111.299 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.832 ' OE2' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -96.4 -58.5 2.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.416 -179.765 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.685 HG11 ' CE2' ' A' ' 47' ' ' PHE . 9.2 m -48.67 -50.57 12.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.515 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.45 ' N ' HG23 ' A' ' 84' ' ' VAL . 14.8 mt -60.62 -32.41 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.734 0.302 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.7 t -55.17 -31.95 61.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.976 0.417 . . . . 0.0 110.515 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.484 HG11 ' HB3' ' A' ' 27' ' ' GLU . 8.9 t -90.48 -19.86 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.369 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -82.25 -25.95 33.63 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.859 -179.409 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -48.18 -36.31 13.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.96 0.41 . . . . 0.0 110.952 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -64.65 -32.6 74.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.807 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 1.4 m-30 -74.01 -32.9 63.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.587 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -35.25 74.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.765 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.762 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.746 0.308 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -34.81 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -76.56 -17.86 58.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.141 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.734 ' C ' HD21 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -83.31 -37.3 23.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.284 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.712 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 3.0 m -70.98 -35.69 60.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.906 0.384 . . . . 0.0 110.977 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -68.71 -56.23 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.744 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -57.56 -31.69 66.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.67 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 t -61.35 -43.95 98.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.505 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -58.6 -39.98 81.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.4 -40.37 48.43 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.672 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -62.11 -53.75 50.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 110.942 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.808 HD22 HG22 ' A' ' 84' ' ' VAL . 94.5 mt -58.88 -26.32 64.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.009 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.801 HG23 ' OH ' ' A' ' 43' ' ' TYR . 98.3 m -64.18 -36.86 85.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.86 0.362 . . . . 0.0 110.31 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -56.91 7.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.605 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.654 HG21 ' HA ' ' A' ' 84' ' ' VAL . 7.2 p -57.2 -29.64 32.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.968 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -65.94 -41.04 91.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.78 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -71.41 -45.74 61.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -55.61 -44.57 77.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.719 HD13 ' CD1' ' A' ' 80' ' ' TYR . 60.3 mt -60.57 -32.93 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.627 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.405 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -73.31 -20.9 80.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.565 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -86.25 -28.17 23.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.698 0.285 . . . . 0.0 111.056 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 36.0 m -90.71 -40.04 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.446 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.493 ' HE2' HD22 ' A' ' 35' ' ' LEU . 40.4 m-85 -83.21 -27.18 30.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.11 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.1 24.7 21.71 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.627 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.405 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 22.4 m -110.22 174.5 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 111.028 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -86.56 162.16 18.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.176 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.801 ' OH ' HG23 ' A' ' 29' ' ' THR . 6.2 t80 -55.54 -60.02 4.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -59.01 -21.09 58.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -42.21 81.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.06 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.471 HD12 ' CE1' ' A' ' 80' ' ' TYR . 34.0 mm -61.7 -67.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.113 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.552 ' HE2' HG21 ' A' ' 84' ' ' VAL . 21.2 m-85 -137.7 160.08 40.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.994 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.18 165.32 11.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.1 m -50.49 -43.71 55.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.07 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.9 m -65.88 -28.79 44.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.509 HG23 ' CG2' ' A' ' 72' ' ' VAL . 85.0 m -69.23 -58.24 4.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.228 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.84 -49.42 65.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.523 ' HA ' HD12 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -60.0 -36.7 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.975 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.874 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -65.74 -60.11 3.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.018 -179.815 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -52.93 -25.09 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.734 0.302 . . . . 0.0 111.201 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.712 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -81.19 -55.33 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.128 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -47.23 -29.25 2.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.048 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -84.88 -41.99 15.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.776 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.937 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.2 OUTLIER 64.57 44.32 4.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.635 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.31 142.49 37.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.6 p -97.99 85.07 3.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.524 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.2 m-20 -124.55 156.28 67.97 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -86.95 -47.8 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.77 2.313 . . . . 0.0 112.884 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -76.82 -36.13 57.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.817 0.341 . . . . 0.0 111.253 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.524 HG23 ' HB3' ' A' ' 62' ' ' ASP . 61.5 t -54.03 -23.78 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.365 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.003 HD13 HD21 ' A' ' 55' ' ' LEU . 1.5 mt -86.92 -32.97 19.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.91 0.386 . . . . 0.0 110.635 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.628 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -54.91 -38.79 68.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.966 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -72.07 -21.36 61.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.874 HD12 ' HB3' ' A' ' 54' ' ' LYS . 33.8 mm -63.84 147.45 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -70.3 125.19 26.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.08 -27.49 20.16 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.586 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.509 ' CG2' HG23 ' A' ' 51' ' ' THR . 14.4 t -81.37 152.57 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.5 p -144.04 -178.81 6.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.91 -29.31 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -80.44 -32.86 37.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.054 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -68.68 -43.0 77.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.957 HD21 HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -73.56 -15.12 61.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.266 179.79 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -91.37 -41.27 10.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.786 0.327 . . . . 0.0 111.15 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -81.59 -52.6 7.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.245 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.904 ' O ' HG12 ' A' ' 84' ' ' VAL . 26.9 m-85 -97.76 30.17 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.069 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -91.37 -10.81 61.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.978 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.25 -24.35 15.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.705 ' CG ' HD21 ' A' ' 35' ' ' LEU . 1.2 mm-40 -96.28 -70.3 0.72 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.045 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.904 HG12 ' O ' ' A' ' 80' ' ' TYR . 9.6 p -55.02 -32.65 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.658 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.9 mm -69.03 -36.63 74.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.815 0.34 . . . . 0.0 110.275 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.3 p -56.72 -31.6 64.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.084 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.7 t -78.55 -23.05 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.784 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.609 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.4 OUTLIER -80.85 -25.5 37.65 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.367 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -51.99 -25.55 8.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 111.193 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -81.24 -26.95 35.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.295 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.937 ' HB3' HD13 ' A' ' 59' ' ' LEU . 3.5 m-30 -72.5 -30.39 64.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.08 -29.55 19.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.101 -179.771 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 mtt-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.722 0.296 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -60.34 -59.88 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -22.93 67.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -61.85 2.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.273 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.813 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 11.1 m -55.55 -39.78 55.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 111.344 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -62.91 -46.51 87.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.63 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -29.11 68.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.769 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.477 ' HB2' HD21 ' A' ' 59' ' ' LEU . 36.6 t -66.53 -40.09 88.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -61.53 -37.74 84.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.779 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.09 -45.9 11.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.562 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.682 ' HB3' HG11 ' A' ' 87' ' ' VAL . 2.6 mm-40 -60.25 -51.07 71.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 111.04 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 28' ' ' LEU . 15.0 mt -58.94 -28.0 65.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.184 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.639 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 87.6 m -63.91 -37.84 88.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.374 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -58.38 6.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.828 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.637 HG23 ' CG ' ' A' ' 83' ' ' GLU . 2.5 p -57.55 -32.55 42.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -60.26 -45.29 93.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.709 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 9.8 mttt -67.6 -44.23 78.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.766 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.1 m -56.56 -34.06 66.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.784 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.869 HD11 ' HB3' ' A' ' 83' ' ' GLU . 86.0 mt -77.99 -29.91 49.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.628 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -76.15 -26.81 63.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.821 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -76.77 -24.79 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.74 0.305 . . . . 0.0 111.123 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.1 m -92.07 -30.72 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.509 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.453 ' CE1' ' HE2' ' A' ' 79' ' ' LYS . 25.1 m-85 -95.07 17.64 13.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.391 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.37 44.33 44.7 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.087 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.628 HG23 ' HA2' ' A' ' 36' ' ' GLY . 5.9 m -134.68 172.2 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.656 0.265 . . . . 0.0 111.071 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.53 162.09 14.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.032 0.444 . . . . 0.0 111.35 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.639 ' CZ ' HG23 ' A' ' 29' ' ' THR . 12.9 t80 -56.99 -22.92 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.002 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -91.45 15.08 13.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.334 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -104.71 -30.78 9.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.856 0.36 . . . . 0.0 110.734 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.457 HD12 ' CE1' ' A' ' 80' ' ' TYR . 29.3 mm -69.8 -67.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.713 ' CE2' HG11 ' A' ' 84' ' ' VAL . 13.8 m-30 -133.88 158.68 42.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.787 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -95.32 165.34 12.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.962 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.8 m -52.12 -46.25 65.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.996 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.5 p -71.81 -26.18 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 m -69.83 -49.24 54.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.076 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.5 mt -58.35 -51.38 70.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.055 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.404 ' HA ' HD12 ' A' ' 25' ' ' LEU . 12.6 ptpt -55.37 -30.88 61.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.657 ' HB3' HD12 ' A' ' 69' ' ' ILE . 1.4 mptt -62.61 -55.95 22.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.595 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.608 HD21 ' CD1' ' A' ' 66' ' ' LEU . 1.8 mp -59.13 -23.03 61.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.382 179.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.813 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -83.66 -49.62 8.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 111.069 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.62 -34.13 64.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.937 0.399 . . . . 0.0 110.659 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -84.69 -48.38 9.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.466 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.869 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.1 OUTLIER 63.54 50.45 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.086 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.8 m -139.29 125.69 20.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.764 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.407 ' HB3' ' CB ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -86.11 84.22 7.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.088 -179.799 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.607 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 11.9 m-20 -126.2 147.65 60.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.728 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 4.7 Cg_exo -79.07 -40.18 0.29 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.76 2.307 . . . . 0.0 112.418 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.04 -37.15 39.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.324 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.516 HG23 ' HB3' ' A' ' 62' ' ' ASP . 59.4 t -57.1 -38.63 61.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.211 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.815 HD12 HD21 ' A' ' 77' ' ' LEU . 15.2 mt -71.8 -31.88 67.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.612 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -58.14 -36.75 73.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -76.14 -19.61 58.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.381 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.657 HD12 ' HB3' ' A' ' 54' ' ' LYS . 22.0 mm -63.69 139.71 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 111.021 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -67.37 122.42 17.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.53 -28.97 11.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.453 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -85.02 133.19 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p -123.49 -178.07 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -42.14 98.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -66.91 -43.08 84.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.442 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 9.2 mmtm -59.81 -52.98 63.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.815 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -68.74 -12.16 61.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.791 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -81.04 -61.86 1.83 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.675 0.274 . . . . 0.0 111.62 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.453 ' HE2' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -80.92 -41.72 22.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.956 -179.041 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.643 ' O ' HG22 ' A' ' 84' ' ' VAL . 15.8 m-85 -80.94 -28.22 35.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.623 0.249 . . . . 0.0 111.402 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.61 -27.07 5.77 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.814 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.41 -24.05 50.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.713 0.292 . . . . 0.0 111.261 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.869 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -96.2 -61.7 1.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.196 -179.703 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.723 ' O ' HD12 ' A' ' 88' ' ' LEU . 3.2 m -49.8 -54.52 7.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.34 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.491 ' H ' HG23 ' A' ' 84' ' ' VAL . 27.3 mt -59.45 -25.68 31.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.07 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.9 t -60.74 -33.11 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.988 0.423 . . . . 0.0 110.312 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.682 HG11 ' HB3' ' A' ' 27' ' ' GLU . 12.3 t -90.76 -19.77 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.467 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.757 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -87.41 -17.8 31.45 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.27 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.54 -25.55 17.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 0.0 111.247 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -75.86 -29.01 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.164 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.869 ' HB3' HD13 ' A' ' 59' ' ' LEU . 4.9 m-30 -69.73 -51.95 29.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.188 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.2 t -62.69 -23.77 67.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.267 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.418 -179.741 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.614 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.747 0.308 . . . . 0.0 111.051 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -34.79 60.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.939 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.21 -30.27 34.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.454 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -67.24 -44.21 80.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.977 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.646 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 14.7 m -67.38 -45.07 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.179 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.474 ' N ' HG23 ' A' ' 21' ' ' VAL . 9.5 mmtp -60.61 -41.32 94.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -57.75 -31.12 66.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.505 ' HB2' HD21 ' A' ' 59' ' ' LEU . 19.1 t -69.44 -33.94 73.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.16 -41.44 98.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.848 0.356 . . . . 0.0 110.602 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.76 -44.45 10.37 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.641 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.489 ' HB3' HG11 ' A' ' 87' ' ' VAL . 6.1 mm-40 -59.04 -49.33 78.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.93 0.395 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.464 ' HA ' HG12 ' A' ' 31' ' ' VAL . 13.3 mt -60.94 -30.03 69.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.65 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 91.9 m -61.22 -32.47 72.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.355 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.11 -59.37 2.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 28' ' ' LEU . 5.6 p -53.16 -38.49 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.7 m -60.62 -43.72 97.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.711 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -58.67 -54.29 48.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -56.75 -31.31 64.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.794 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.713 HD13 ' CD1' ' A' ' 80' ' ' TYR . 26.9 mt -71.85 -21.47 61.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.037 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.667 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -81.61 -37.19 17.68 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.666 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -73.87 -27.19 60.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.703 0.287 . . . . 0.0 111.016 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.468 HG23 ' CD2' ' A' ' 39' ' ' PHE . 27.9 m -85.46 -28.85 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.534 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.468 ' CD2' HG23 ' A' ' 38' ' ' VAL . 44.6 m-85 -107.93 17.53 22.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.486 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 49.88 41.31 36.18 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.053 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.667 HG23 ' HA2' ' A' ' 36' ' ' GLY . 7.0 m -132.16 155.83 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.076 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.16 162.22 28.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.305 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.65 ' CZ ' HG23 ' A' ' 29' ' ' THR . 12.3 t80 -56.53 -48.0 78.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.789 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -18.72 65.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.255 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -72.33 -30.35 64.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.269 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.4 HD12 ' CE1' ' A' ' 80' ' ' TYR . 30.2 mm -67.0 -67.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.146 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.721 ' CE2' HG11 ' A' ' 84' ' ' VAL . 8.9 m-30 -138.24 150.09 46.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.994 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -92.13 165.36 13.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -51.37 -37.57 48.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.089 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.1 m -67.12 -26.64 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.277 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.689 HG21 ' CG ' ' A' ' 47' ' ' PHE . 77.0 m -74.33 -55.92 5.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.6 mt -56.27 -47.49 78.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.238 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -57.47 -35.01 69.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.768 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.536 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -67.62 -59.25 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.651 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.703 HD11 HD22 ' A' ' 66' ' ' LEU . 1.6 mp -58.53 -20.43 46.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.556 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.646 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -78.89 -50.97 10.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.345 . . . . 0.0 111.15 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.52 -47.51 73.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.077 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.2 p -71.37 -49.38 42.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.0 OUTLIER 64.61 50.94 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -139.18 146.1 40.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.704 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.66 84.81 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.548 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 4.4 m-20 -125.37 156.83 69.59 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -87.24 -59.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.956 2.437 . . . . 0.0 112.252 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -61.12 -47.09 87.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.1 t -52.5 -26.69 10.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.012 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.703 HD22 HD11 ' A' ' 55' ' ' LEU . 79.5 mt -87.43 -17.83 31.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.536 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.653 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -71.78 -37.31 70.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.45 -9.24 58.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.636 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.536 HD12 ' HB3' ' A' ' 54' ' ' LYS . 27.8 mm -68.06 152.3 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.854 0.359 . . . . 0.0 111.156 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -71.79 121.75 19.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.57 -34.75 4.67 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.651 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.579 ' CG2' HG23 ' A' ' 51' ' ' THR . 21.5 t -78.3 123.51 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.335 . . . . 0.0 111.248 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 p -121.0 -178.56 3.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.744 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.93 -45.15 91.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -63.17 -33.25 75.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -74.74 -35.58 62.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.579 HD21 ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -82.25 -18.74 41.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.245 -179.831 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -91.47 -28.64 17.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.46 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 8.7 ttpt -96.52 -57.91 2.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.259 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.713 ' CD1' HD13 ' A' ' 35' ' ' LEU . 27.6 m-85 -82.83 -28.02 30.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.459 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -44.89 -42.02 7.65 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 121.072 -0.585 . . . . 0.0 113.168 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.03 -27.09 66.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.719 0.295 . . . . 0.0 111.384 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.616 ' HG3' HD21 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -96.2 -62.2 1.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.443 -179.607 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.721 HG11 ' CE2' ' A' ' 47' ' ' PHE . 3.5 m -46.8 -52.05 4.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.426 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.486 HD11 HD11 ' A' ' 77' ' ' LEU . 31.5 mt -59.92 -27.65 39.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.841 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 t -58.47 -31.26 67.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 110.394 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.489 HG11 ' HB3' ' A' ' 27' ' ' GLU . 21.8 t -90.55 -19.6 7.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.356 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.764 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -86.53 -20.83 27.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.819 -179.39 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -49.78 -33.24 15.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.934 0.397 . . . . 0.0 111.11 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -65.69 -42.85 90.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.764 ' HD2' HD23 ' A' ' 88' ' ' LEU . 1.9 m-30 -58.9 -46.0 88.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.814 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.5 t -58.98 -21.28 58.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.367 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.575 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.767 0.318 . . . . 0.0 110.952 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -70.49 -41.53 72.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.854 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.58 -24.64 56.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.894 ' HB3' HD11 ' A' ' 59' ' ' LEU . 61.2 mmm -72.04 -46.29 57.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.168 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 17' ' ' ARG . 13.8 m -64.01 -35.9 75.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 111.056 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -63.35 -46.02 88.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.7 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -58.53 -28.94 65.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.945 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.433 ' HG ' ' HE2' ' A' ' 91' ' ' TYR . 22.4 t -66.29 -41.6 89.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.723 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.02 -40.08 88.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.94 -50.75 7.51 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.716 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.518 ' HB3' HG11 ' A' ' 87' ' ' VAL . 5.0 mt-10 -56.24 -49.14 75.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 111.178 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.442 ' HA ' HG12 ' A' ' 31' ' ' VAL . 15.9 mt -59.94 -28.16 67.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.822 HG23 ' OH ' ' A' ' 43' ' ' TYR . 88.9 m -62.21 -41.79 98.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.388 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.83 -58.54 7.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.704 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.854 HG23 ' OE1' ' A' ' 83' ' ' GLU . 5.7 p -54.92 -35.35 33.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.992 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.0 m -60.19 -52.61 64.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.62 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -58.39 -51.21 70.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.51 -30.92 61.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.747 HD13 ' CD1' ' A' ' 80' ' ' TYR . 17.3 mt -71.94 -28.37 63.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.413 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -78.65 -22.98 65.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.725 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -77.96 -39.64 41.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.733 0.301 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.8 m -76.55 -31.71 20.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.401 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.401 ' CZ ' ' HB2' ' A' ' 79' ' ' LYS . 22.6 m-85 -93.33 -27.26 16.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.034 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.22 15.83 49.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.781 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.413 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 31.1 m -101.39 168.19 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.64 162.08 23.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.11 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.822 ' OH ' HG23 ' A' ' 29' ' ' THR . 7.3 t80 -54.69 -53.69 51.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.863 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.05 -26.17 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -58.21 -32.94 68.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.975 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.472 HD12 ' CE1' ' A' ' 80' ' ' TYR . 32.9 mm -68.4 -67.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.852 ' CE1' HG22 ' A' ' 72' ' ' VAL . 10.8 m-30 -138.42 140.21 39.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.43 165.3 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.6 m -53.32 -41.7 65.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.7 p -72.78 -29.63 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.488 ' CG2' HG23 ' A' ' 72' ' ' VAL . 12.6 m -68.41 -48.42 64.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.217 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.31 -51.16 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.057 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -55.53 -29.31 58.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.921 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -64.23 -57.24 10.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.667 179.7 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.711 HD21 HD13 ' A' ' 66' ' ' LEU . 1.3 mp -58.24 -22.2 51.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.436 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.547 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -75.53 -58.05 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.977 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.77 -36.21 67.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 m -67.61 -53.17 30.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.834 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.894 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER 66.56 37.71 4.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.297 179.753 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.4 p -139.14 137.5 36.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.757 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.76 84.22 2.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 111.078 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.646 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -125.82 156.07 71.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.559 179.493 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.62 -45.63 0.12 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.592 2.194 . . . . 0.0 111.944 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.97 -50.42 55.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.896 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.646 HG23 ' HB3' ' A' ' 62' ' ' ASP . 40.2 t -46.39 -48.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.737 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.764 HD12 HD21 ' A' ' 77' ' ' LEU . 12.1 mt -69.44 -27.34 65.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.154 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.595 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -59.85 -37.53 79.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 110.753 179.803 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -72.73 -22.06 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.278 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.921 HD12 ' HB3' ' A' ' 54' ' ' LYS . 19.5 mm -63.91 134.26 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.16 131.14 50.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.04 -35.1 4.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.852 HG22 ' CE1' ' A' ' 47' ' ' PHE . 23.6 t -84.58 114.66 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.339 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.8 p -108.83 -178.15 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.24 -28.41 69.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -79.67 -45.58 18.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.019 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -57.95 -40.66 81.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.764 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -77.37 -11.84 59.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.277 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -86.46 -38.8 16.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.705 0.288 . . . . 0.0 111.408 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.403 ' HE2' ' CE1' ' A' ' 80' ' ' TYR . 7.9 ptmt -96.12 -48.69 5.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.577 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.831 ' O ' HG22 ' A' ' 84' ' ' VAL . 24.6 m-85 -80.21 -28.17 38.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 111.28 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.418 ' HA3' HD13 ' A' ' 77' ' ' LEU . . . -46.82 -46.76 19.19 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.001 -0.618 . . . . 0.0 113.036 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.72 -25.05 62.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.712 0.291 . . . . 0.0 111.289 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.854 ' OE1' HG23 ' A' ' 31' ' ' VAL . 2.4 mm-40 -96.25 -61.34 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.226 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.831 HG22 ' O ' ' A' ' 80' ' ' TYR . 0.4 OUTLIER -49.24 -55.83 3.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.759 0.314 . . . . 0.0 111.522 -179.758 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.566 HD11 HD11 ' A' ' 77' ' ' LEU . 26.4 mt -58.22 -27.49 32.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.245 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -33.95 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.026 0.441 . . . . 0.0 110.401 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.518 HG11 ' HB3' ' A' ' 27' ' ' GLU . 12.1 t -90.7 -19.91 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.476 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.774 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -85.35 -20.23 30.25 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.217 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.2 -33.07 18.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.033 0.444 . . . . 0.0 110.701 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -44.34 91.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.776 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.774 ' HD2' HD23 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -62.4 -37.57 86.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.43 179.741 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -57.14 -30.0 64.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.786 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.053 179.939 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.736 ' O ' HG13 ' A' ' 21' ' ' VAL . 1.8 ptp85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.796 0.331 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -80.98 -28.66 35.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.46 -40.03 27.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.957 ' HB3' HD11 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -63.77 -46.22 86.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.754 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 16.5 m -61.0 -44.65 98.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.898 0.38 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.488 ' N ' HG23 ' A' ' 21' ' ' VAL . 31.9 mmtm -61.58 -41.15 97.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.558 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -30.01 68.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.736 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 t -67.87 -37.59 82.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.502 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.51 -43.92 96.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.24 -42.0 24.78 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.839 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.535 ' HB3' HG11 ' A' ' 87' ' ' VAL . 1.1 mm-40 -60.77 -52.7 63.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.863 0.363 . . . . 0.0 110.977 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.501 HD22 HG12 ' A' ' 84' ' ' VAL . 16.1 mt -58.04 -29.35 65.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.953 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.711 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 88.9 m -60.8 -43.21 98.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.524 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.22 -58.88 6.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.635 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.531 HG23 ' HG3' ' A' ' 83' ' ' GLU . 4.4 p -53.21 -36.66 26.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.048 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.1 m -58.36 -53.33 59.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.732 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HE2' ' CD2' ' A' ' 43' ' ' TYR . 19.4 mttt -62.41 -44.02 97.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.754 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -25.24 56.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.986 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.892 HD11 ' HB3' ' A' ' 83' ' ' GLU . 52.6 mt -86.28 -28.85 23.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.431 ' HA2' HG22 ' A' ' 41' ' ' VAL . . . -79.4 -28.22 53.08 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.674 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HD2' HG13 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -74.07 -27.99 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.059 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.418 HG13 ' HD2' ' A' ' 37' ' ' LYS . 11.0 m -86.55 -35.3 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.259 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -90.61 -26.21 19.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.09 24.37 19.84 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.714 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.431 HG22 ' HA2' ' A' ' 36' ' ' GLY . 31.3 m -111.58 144.17 19.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.773 0.32 . . . . 0.0 110.982 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -59.45 160.15 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.056 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.711 ' CZ ' HG23 ' A' ' 29' ' ' THR . 5.2 t80 -57.08 -45.34 83.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.773 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.28 -26.8 68.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -58.51 -33.86 70.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.472 HD12 ' CE1' ' A' ' 80' ' ' TYR . 31.9 mm -68.9 -67.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.133 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.719 ' CE2' HG11 ' A' ' 84' ' ' VAL . 8.7 m-30 -138.53 172.71 12.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.413 ' HB3' HG22 ' A' ' 50' ' ' VAL . 1.4 m-20 -116.71 165.27 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.766 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.459 ' HA ' HD12 ' A' ' 52' ' ' LEU . 9.4 m -52.25 -29.64 23.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' A' ' 48' ' ' ASN . 6.4 m -74.56 -29.82 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.228 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.537 HG21 ' CG ' ' A' ' 47' ' ' PHE . 99.5 m -74.25 -50.87 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 49' ' ' THR . 2.2 mt -57.15 -47.33 81.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -59.37 -36.76 76.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.765 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.565 ' HG2' HG23 ' A' ' 69' ' ' ILE . 5.1 tptp -67.19 -57.24 7.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.68 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.595 HD21 ' CD1' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -59.4 -20.33 54.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.392 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.754 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -78.9 -53.88 6.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.707 0.289 . . . . 0.0 110.989 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.14 -40.69 86.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.625 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.3 t -63.94 -51.01 66.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.751 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.957 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER 65.98 41.77 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.771 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -139.25 148.15 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.73 84.79 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.852 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.588 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -125.13 156.97 68.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.637 179.706 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -86.99 -49.2 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.533 2.155 . . . . 0.0 112.867 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -35.18 69.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.588 HG23 ' HB3' ' A' ' 62' ' ' ASP . 39.1 t -59.82 -31.31 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.769 HD12 HD21 ' A' ' 77' ' ' LEU . 41.3 mt -83.69 -19.52 35.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.364 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.648 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -68.3 -36.28 79.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.896 0.379 . . . . 0.0 110.605 179.69 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -78.57 -15.73 58.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.597 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.565 HG23 ' HG2' ' A' ' 54' ' ' LYS . 22.9 mm -63.69 154.01 6.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.875 0.369 . . . . 0.0 111.063 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.419 ' N ' HG22 ' A' ' 69' ' ' ILE . 1.8 t70 -74.41 132.74 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.32 -3.17 82.66 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.899 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.507 ' CG2' HG23 ' A' ' 51' ' ' THR . 14.7 t -104.09 142.74 17.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.8 0.333 . . . . 0.0 111.032 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -137.48 178.74 6.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.402 ' CG ' HD21 ' A' ' 67' ' ' LEU . 7.5 mt-10 -63.88 -44.34 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -59.6 -42.65 93.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -65.12 -38.95 92.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.769 HD21 HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -81.43 -12.62 58.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.377 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -91.13 -36.78 13.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.752 0.311 . . . . 0.0 110.936 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.33 -58.14 2.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.683 ' O ' HG22 ' A' ' 84' ' ' VAL . 16.7 m-85 -76.84 -24.96 52.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.282 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.4 -48.33 21.63 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.802 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.65 -22.17 44.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.692 0.282 . . . . 0.0 111.343 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.892 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.13 -62.6 1.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.138 -179.803 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.719 HG11 ' CE2' ' A' ' 47' ' ' PHE . 1.3 m -48.35 -55.51 2.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.422 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.598 HD11 HD11 ' A' ' 77' ' ' LEU . 13.1 mt -57.56 -28.1 30.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.178 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.75 -32.74 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.113 0.483 . . . . 0.0 110.376 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.535 HG11 ' HB3' ' A' ' 27' ' ' GLU . 14.9 t -90.46 -19.66 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.308 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.787 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -86.89 -18.22 31.37 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.28 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -50.87 -36.85 40.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.789 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -62.33 -45.86 91.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.787 ' HD2' HD23 ' A' ' 88' ' ' LEU . 1.4 m-30 -57.21 -42.34 81.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.765 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.5 t -55.73 -30.97 62.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.79 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.778 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.706 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.727 0.299 . . . . 0.0 111.049 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.607 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -59.6 -65.1 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.032 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -59.27 -20.57 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.438 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -71.68 -42.54 67.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.237 -179.769 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.758 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 2.9 m -67.8 -31.71 53.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.371 . . . . 0.0 111.412 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -68.43 -46.37 70.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.722 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -57.97 -26.77 62.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.562 ' HB2' HD21 ' A' ' 59' ' ' LEU . 42.5 t -72.88 -36.27 67.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.034 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.9 -42.19 98.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.898 0.38 . . . . 0.0 110.68 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.0 -40.93 15.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.706 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.466 ' HB3' HG11 ' A' ' 87' ' ' VAL . 37.8 mt-10 -62.22 -54.23 43.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.881 0.372 . . . . 0.0 111.011 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.452 ' HA ' HG12 ' A' ' 31' ' ' VAL . 13.5 mt -58.44 -29.34 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.067 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.614 HG23 ' OH ' ' A' ' 43' ' ' TYR . 42.8 m -61.71 -37.34 83.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.415 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -66.37 -57.63 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.779 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.751 HG23 ' OE1' ' A' ' 83' ' ' GLU . 6.7 p -55.31 -33.4 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.035 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -58.38 -59.02 6.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.76 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -56.7 -48.4 77.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.28 -28.76 55.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.751 HD21 ' HG3' ' A' ' 83' ' ' GLU . 15.6 mt -79.22 -29.38 42.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.77 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.418 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -75.31 -25.3 68.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.557 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -29.77 46.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 111.008 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 m -86.01 -33.35 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.305 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 79' ' ' LYS . 21.7 m-85 -88.65 -27.03 21.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.08 27.37 12.39 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.583 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.418 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 12.3 m -116.93 175.06 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.968 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -89.63 162.19 15.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.091 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.614 ' OH ' HG23 ' A' ' 29' ' ' THR . 8.4 t80 -53.83 -49.06 69.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.836 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.45 -26.67 68.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.51 -31.49 71.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.04 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.42 HD12 ' CE1' ' A' ' 80' ' ' TYR . 28.3 mm -66.51 -67.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.056 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.713 ' HE2' HG11 ' A' ' 84' ' ' VAL . 8.7 m-30 -138.36 170.34 16.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -110.67 165.42 11.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.813 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.5 m -53.79 -29.3 39.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.0 m -75.69 -30.29 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.228 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.527 HG21 ' CG ' ' A' ' 47' ' ' PHE . 98.2 m -71.23 -54.58 10.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.4 mt -54.65 -51.2 66.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -58.9 -27.93 65.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.05 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.804 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -76.22 -60.18 2.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.982 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.767 HD21 HD22 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -55.35 -23.51 24.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.365 179.658 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.758 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -81.19 -46.4 14.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.29 -32.95 62.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.3 m -86.35 -48.15 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.747 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.1 OUTLIER 64.32 50.29 2.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.005 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.06 124.64 19.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.635 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.42 84.45 3.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.997 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.532 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.9 m-20 -125.69 151.58 70.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.63 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -86.96 -46.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.926 2.417 . . . . 0.0 112.838 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -37.01 51.31 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.2 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.532 HG23 ' HB3' ' A' ' 62' ' ' ASP . 62.1 t -52.57 -26.03 9.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.983 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.967 HD12 HD21 ' A' ' 77' ' ' LEU . 2.8 mt -83.53 -35.29 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.548 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.95 -40.06 56.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -71.98 -23.44 61.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.894 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.804 HD12 ' HB3' ' A' ' 54' ' ' LYS . 32.7 mm -63.97 147.97 11.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.05 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.69 129.3 38.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.29 -35.03 4.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.571 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.518 ' CG2' HG23 ' A' ' 51' ' ' THR . 19.6 t -81.02 129.63 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 111.162 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.96 -176.3 3.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -28.4 66.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -81.45 -47.18 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.051 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -57.76 -32.47 67.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.967 HD21 HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -85.2 -13.62 49.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.369 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -30.96 17.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 15.8 ptmt -96.67 -39.67 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.52 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.797 ' O ' HG22 ' A' ' 84' ' ' VAL . 29.5 m-85 -95.99 -27.88 14.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.748 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.412 ' HA3' HD13 ' A' ' 77' ' ' LEU . . . -46.86 -28.19 3.7 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.177 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.76 -27.39 60.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.758 0.313 . . . . 0.0 111.232 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.751 ' HG3' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.22 -57.08 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.797 HG22 ' O ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -47.62 -58.09 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.803 0.335 . . . . 0.0 111.09 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.444 ' H ' HG23 ' A' ' 84' ' ' VAL . 29.5 mt -55.46 -25.03 16.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.7 t -61.2 -33.63 73.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.012 0.434 . . . . 0.0 110.31 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 27' ' ' GLU . 13.3 t -90.53 -19.8 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.322 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.708 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -85.75 -19.16 31.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.859 -179.436 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -51.12 -29.45 13.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.825 0.345 . . . . 0.0 111.236 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -71.1 -32.78 69.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.708 ' HD2' HD23 ' A' ' 88' ' ' LEU . 4.5 m-30 -66.29 -53.08 40.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.057 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 m -56.26 -28.05 57.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.049 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.425 ' O ' HG13 ' A' ' 21' ' ' VAL . 7.7 tmm_? . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.725 0.298 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -66.57 -41.81 88.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -78.84 -23.56 44.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.45 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -71.58 -43.72 65.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.147 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.718 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 21.0 m -68.93 -45.03 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.896 0.379 . . . . 0.0 111.303 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.491 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -60.38 -43.74 96.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.754 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -56.62 -31.08 63.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.903 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.526 ' HB2' HD21 ' A' ' 59' ' ' LEU . 12.7 t -68.51 -34.05 75.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.702 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -39.86 93.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.433 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.65 -44.42 10.62 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.667 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.564 ' HB3' HG11 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -60.65 -50.71 72.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.718 0.294 . . . . 0.0 111.013 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.65 -33.63 70.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.3 m -57.32 -43.5 83.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.617 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.21 -61.36 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.584 HG23 ' HG3' ' A' ' 83' ' ' GLU . 3.3 p -49.91 -38.37 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.305 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.9 m -57.46 -56.66 18.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -61.1 -44.5 97.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.6 t -54.09 -28.48 39.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.868 HD11 ' HB3' ' A' ' 83' ' ' GLU . 54.0 mt -83.11 -28.71 29.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.406 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -74.48 -20.72 79.5 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.807 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -26.98 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 111.217 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.403 HG23 ' CD2' ' A' ' 39' ' ' PHE . 16.6 m -90.55 -29.23 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.352 . . . . 0.0 111.402 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.438 ' CE1' ' HE3' ' A' ' 79' ' ' LYS . 32.8 m-85 -96.13 -27.02 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.12 27.1 12.71 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.727 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.406 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 15.3 m -115.97 155.38 17.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.79 0.329 . . . . 0.0 111.065 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.46 162.04 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.048 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -56.29 -55.82 28.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.797 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.98 -24.28 62.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -57.49 -30.59 65.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.416 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 24.1 mm -72.71 -67.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.816 ' CE2' HG11 ' A' ' 84' ' ' VAL . 7.3 m-30 -139.41 166.3 24.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -109.27 165.5 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.759 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 m -49.74 -40.69 41.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.103 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.0 m -66.38 -28.65 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.094 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.698 HG21 ' CG ' ' A' ' 47' ' ' PHE . 97.3 m -72.86 -56.04 5.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.0 mt -55.13 -49.34 72.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.62 -29.26 64.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 110.743 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.584 ' HG2' HG23 ' A' ' 69' ' ' ILE . 2.4 tptt -73.82 -59.41 2.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.726 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.598 HD21 ' CD1' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -57.73 -21.56 41.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.412 179.709 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.718 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -80.21 -48.91 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 111.022 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -54.87 -46.93 74.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -72.99 -48.13 39.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.543 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.0 OUTLIER 64.3 51.0 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.428 ' O ' HD22 ' A' ' 88' ' ' LEU . 1.7 p -139.07 146.39 40.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.625 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.69 84.35 2.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.971 0.415 . . . . 0.0 111.152 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.547 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 43.7 m-20 -125.9 156.21 71.83 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.425 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -81.58 -52.26 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.716 2.277 . . . . 0.0 112.533 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.64 -40.83 76.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.479 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.4 t -54.57 -26.27 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.882 0.372 . . . . 0.0 111.401 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.755 HD12 HD21 ' A' ' 77' ' ' LEU . 18.0 mt -88.72 -24.89 22.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.335 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.561 HD21 ' HG2' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -65.03 -37.57 88.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.911 0.386 . . . . 0.0 111.008 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -75.05 -16.65 60.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.459 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.584 HG23 ' HG2' ' A' ' 54' ' ' LYS . 27.3 mm -63.8 150.38 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 111.133 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -73.05 127.21 31.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.55 -31.09 7.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.586 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.555 ' CG2' HG23 ' A' ' 51' ' ' THR . 17.7 t -79.62 143.66 12.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.811 0.339 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.48 -177.39 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.561 ' HG2' HD21 ' A' ' 67' ' ' LEU . 56.7 mt-10 -67.31 -32.08 72.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -73.23 -40.23 64.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -68.56 -37.24 79.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.755 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -80.97 -15.9 54.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.209 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -90.46 -35.62 15.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.799 0.333 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.438 ' HE3' ' CE1' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -96.22 -58.2 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.255 -179.72 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.716 ' O ' HG22 ' A' ' 84' ' ' VAL . 24.9 m-85 -78.88 -24.27 44.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.441 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.19 -27.23 7.13 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.685 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.88 -25.54 60.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.826 0.346 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.868 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -95.85 -58.46 2.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.816 HG11 ' CE2' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -50.62 -54.04 10.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.341 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.501 HD11 HD11 ' A' ' 77' ' ' LEU . 25.8 mt -59.96 -27.63 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.128 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 t -58.73 -32.21 69.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.912 0.387 . . . . 0.0 110.461 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.564 HG11 ' HB3' ' A' ' 27' ' ' GLU . 14.4 t -90.39 -19.76 7.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.375 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.744 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -85.4 -21.46 28.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.861 -179.302 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -34.67 27.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 0.0 111.169 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -64.67 -41.17 96.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.744 ' HD2' HD23 ' A' ' 88' ' ' LEU . 3.2 m-30 -57.44 -49.74 75.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -30.97 60.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.027 179.846 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.819 0.342 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -61.13 -45.08 96.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.94 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.86 -25.15 59.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.918 ' HB3' HD11 ' A' ' 59' ' ' LEU . 76.9 mmm -73.75 -50.43 20.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.2 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.74 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 35.7 m -58.5 -40.7 79.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.863 0.363 . . . . 0.0 111.264 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' N ' HG23 ' A' ' 21' ' ' VAL . 23.0 mmtt -60.27 -44.68 95.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.015 0.436 . . . . 0.0 110.691 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -58.27 -33.69 69.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.643 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.64 -37.61 87.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.519 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.08 -35.96 80.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.658 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.74 -54.2 4.67 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.604 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.554 ' HB3' HG11 ' A' ' 87' ' ' VAL . 22.4 mt-10 -56.73 -34.02 67.11 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.915 0.388 . . . . 0.0 110.985 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' HA ' ' CG1' ' A' ' 31' ' ' VAL . 15.0 mt -73.1 -21.32 60.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.829 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.878 HG23 ' OH ' ' A' ' 43' ' ' TYR . 59.3 m -68.82 -54.84 13.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.743 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 1.2 pp20? -56.9 -48.85 77.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.174 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.486 ' CG1' ' HA ' ' A' ' 28' ' ' LEU . 2.9 p -56.44 -41.99 73.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.776 0.322 . . . . 0.0 110.7 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.6 m -60.07 -48.12 83.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.83 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 69.9 mttt -61.54 -48.46 80.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t -56.18 -38.84 71.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.779 HD21 ' HG3' ' A' ' 83' ' ' GLU . 53.5 mt -63.57 -35.63 81.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.801 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.453 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -71.86 -23.48 77.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.655 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -79.99 -28.47 39.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.655 0.264 . . . . 0.0 111.035 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.1 m -92.16 -35.85 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.439 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 79' ' ' LYS . 25.2 m-85 -85.32 -27.12 26.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.059 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.88 33.87 7.15 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.733 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.453 HG23 ' HA2' ' A' ' 36' ' ' GLY . 4.3 m -123.98 168.17 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.733 0.301 . . . . 0.0 111.095 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -80.47 162.07 24.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.123 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.878 ' OH ' HG23 ' A' ' 29' ' ' THR . 13.0 t80 -61.48 -25.26 67.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.764 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.65 15.04 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.41 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -100.83 -29.37 12.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.721 0.296 . . . . 0.0 110.799 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.456 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 28.0 mm -70.31 -67.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.821 ' CE2' HG11 ' A' ' 84' ' ' VAL . 11.5 m-30 -139.99 156.79 46.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.664 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -96.26 165.27 12.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.789 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.9 m -50.76 -39.68 52.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.7 p -73.14 -29.3 28.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.954 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.554 HG21 ' CD1' ' A' ' 47' ' ' PHE . 91.5 m -70.68 -48.95 52.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.28 -49.01 75.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.189 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -57.26 -31.31 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.834 ' HB3' HD12 ' A' ' 69' ' ' ILE . 2.0 mptt -64.07 -55.98 18.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.511 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.996 HD23 HD11 ' A' ' 88' ' ' LEU . 10.9 mp -55.72 -23.78 30.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.943 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.74 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -81.32 -63.38 1.41 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.453 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -47.01 -29.66 2.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.255 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.1 m -79.63 -45.23 19.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.918 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER 62.44 30.37 17.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.991 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.2 m -139.11 127.89 23.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.831 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.41 ' CB ' HG23 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -88.02 84.77 6.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.793 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.547 ' O ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -125.29 144.71 48.4 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.964 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 2.9 Cg_exo -74.31 -54.81 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.611 2.207 . . . . 0.0 111.895 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -39.39 80.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.435 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.501 HG23 ' HB3' ' A' ' 62' ' ' ASP . 36.0 t -69.19 -32.43 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.49 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.706 HD21 ' HG ' ' A' ' 55' ' ' LEU . 17.3 mt -76.36 -29.23 57.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.768 HD21 ' HG3' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -66.13 -37.17 85.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.807 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -71.91 -9.68 58.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.409 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.834 HD12 ' HB3' ' A' ' 54' ' ' LYS . 17.5 mm -64.83 139.64 21.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.771 0.319 . . . . 0.0 110.95 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.66 109.94 3.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.777 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.96 -28.33 11.39 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.47 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.491 ' CG2' HG23 ' A' ' 51' ' ' THR . 24.8 t -82.99 128.03 39.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 111.136 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.71 -179.27 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.768 ' HG3' HD21 ' A' ' 67' ' ' LEU . 10.9 mp0 -60.5 -49.09 78.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.787 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -58.62 -36.21 73.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -73.78 -33.3 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.675 HD11 HD11 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -86.12 -15.96 39.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.281 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -91.42 -29.66 16.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 1.3 ttpt -96.36 -58.21 2.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.374 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.658 ' O ' HG22 ' A' ' 84' ' ' VAL . 27.7 m-85 -83.01 -26.72 30.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.483 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.451 ' HA3' HD13 ' A' ' 77' ' ' LEU . . . -47.28 -27.72 4.07 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.949 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.4 -27.97 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.758 0.313 . . . . 0.0 111.211 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.779 ' HG3' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.21 -59.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.272 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.821 HG11 ' CE2' ' A' ' 47' ' ' PHE . 2.3 m -49.08 -52.99 8.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.755 0.312 . . . . 0.0 111.339 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.675 HD11 HD11 ' A' ' 77' ' ' LEU . 17.4 mt -63.94 -33.09 59.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.21 -29.6 46.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.072 0.463 . . . . 0.0 110.384 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.554 HG11 ' HB3' ' A' ' 27' ' ' GLU . 5.4 t -90.59 -19.93 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.376 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.996 HD11 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -87.6 -17.85 31.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.086 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -50.88 -36.35 37.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.0 0.429 . . . . 0.0 110.818 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -62.26 -46.94 86.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.782 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.655 ' HD2' HD23 ' A' ' 88' ' ' LEU . 1.2 m-85 -59.23 -38.34 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.64 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 t -57.41 -28.95 63.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.783 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 179.773 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.527 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.853 0.358 . . . . 0.0 111.041 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -58.3 -42.42 86.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -79.2 -29.59 42.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.471 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 78.2 mmm -65.99 -47.57 74.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.743 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 11.2 m -65.35 -43.23 94.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.945 0.403 . . . . 0.0 111.289 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 21' ' ' VAL . 1.4 mmtm -59.39 -42.7 92.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.768 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.71 -29.81 65.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.874 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.505 ' HB2' HD21 ' A' ' 59' ' ' LEU . 18.7 t -69.9 -33.52 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -39.61 95.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.899 0.38 . . . . 0.0 110.411 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.64 -43.81 9.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.553 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.555 ' HB3' HG11 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -60.51 -50.65 72.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.431 HD22 HG12 ' A' ' 84' ' ' VAL . 14.2 mt -59.5 -32.07 69.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.471 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 75.0 m -59.17 -36.13 74.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.382 . . . . 0.0 110.484 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -68.14 -60.95 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.944 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.667 HG23 ' HG3' ' A' ' 83' ' ' GLU . 5.3 p -52.45 -35.8 20.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.216 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -57.68 -49.33 76.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.699 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.414 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 8.3 mttt -65.46 -46.18 80.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -55.32 -24.01 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.039 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.889 HD11 ' HB3' ' A' ' 83' ' ' GLU . 59.7 mt -87.27 -29.75 21.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.838 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.41 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -75.85 -26.54 64.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.628 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -28.36 43.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.813 0.34 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.5 m -86.87 -34.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.222 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 79' ' ' LYS . 20.6 m-85 -88.11 -26.39 22.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.22 27.99 11.35 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.613 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.41 HG23 ' HA2' ' A' ' 36' ' ' GLY . 9.9 m -118.52 163.25 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 111.013 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -78.26 162.16 26.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.993 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.471 ' CZ ' HG23 ' A' ' 29' ' ' THR . 9.8 t80 -58.6 -34.15 70.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.782 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -80.59 -1.84 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.546 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.08 -30.73 22.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.78 0.324 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.486 HD12 ' CE1' ' A' ' 80' ' ' TYR . 35.8 mm -68.33 -67.39 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.746 ' HE2' HG11 ' A' ' 84' ' ' VAL . 11.0 m-30 -137.86 157.32 46.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.711 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -90.86 165.06 13.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.4 m -56.24 -37.96 70.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.85 -25.79 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.268 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 m -73.4 -44.45 58.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.0 mt -59.54 -48.12 82.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -59.68 -31.1 69.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.863 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -68.99 -60.14 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.746 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.925 HD21 HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -55.38 -23.0 22.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.324 179.625 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.743 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -81.24 -47.21 13.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.978 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.75 -30.53 61.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.8 p -85.49 -50.3 7.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER 62.32 48.28 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.98 124.96 19.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.682 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.99 84.45 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 111.085 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.548 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -125.55 155.99 71.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.332 179.446 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -88.09 -48.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.647 2.232 . . . . 0.0 112.889 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -76.59 -33.83 58.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.39 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.548 HG23 ' HB3' ' A' ' 62' ' ' ASP . 53.5 t -57.0 -23.73 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.286 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.925 HD13 HD21 ' A' ' 55' ' ' LEU . 1.7 mt -91.17 -43.68 9.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.958 0.409 . . . . 0.0 110.634 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.754 ' O ' HD23 ' A' ' 67' ' ' LEU . 3.9 tt -49.83 -38.47 35.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.355 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -71.17 -20.14 62.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.863 HD12 ' HB3' ' A' ' 54' ' ' LYS . 31.4 mm -65.63 134.8 29.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.688 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -53.99 110.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.073 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.23 -27.0 7.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.678 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 t -85.15 148.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.16 -177.06 5.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -68.31 -19.07 64.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.252 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -90.13 -47.22 7.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.767 0.318 . . . . 0.0 111.192 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -57.24 -41.84 80.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.131 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.88 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -76.26 -11.37 59.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.377 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -87.13 -46.3 9.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.665 0.269 . . . . 0.0 111.526 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 7.7 ptmt -91.37 -46.69 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.596 -179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.794 ' O ' HG22 ' A' ' 84' ' ' VAL . 19.8 m-85 -82.67 -25.12 33.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.273 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.76 -47.87 24.21 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.778 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.37 -23.59 57.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 111.262 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.889 ' HB3' HD11 ' A' ' 35' ' ' LEU . 2.0 tp10 -95.38 -61.95 1.38 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.159 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -47.96 -58.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.276 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.458 HD11 HD11 ' A' ' 77' ' ' LEU . 11.4 mt -55.47 -28.55 22.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.12 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -33.52 67.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.96 0.41 . . . . 0.0 110.297 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.555 HG11 ' HB3' ' A' ' 27' ' ' GLU . 13.6 t -90.82 -19.67 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.415 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 84' ' ' VAL . 0.5 OUTLIER -85.73 -15.31 42.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.928 -179.437 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -57.08 -32.22 66.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.939 0.4 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -67.18 -25.17 66.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.382 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.534 ' CE2' ' HA ' ' A' ' 88' ' ' LEU . 2.6 m-30 -78.07 -38.48 44.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.743 0.306 . . . . 0.0 111.171 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.4 t -63.84 -29.16 70.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.476 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.766 0.317 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.03 -36.5 75.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.013 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.98 -29.19 55.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.026 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.952 ' HB3' HD11 ' A' ' 59' ' ' LEU . 83.1 mmm -73.7 -48.77 29.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.989 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.715 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 32.7 m -57.85 -42.91 83.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.885 0.374 . . . . 0.0 111.048 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' HG23 ' A' ' 21' ' ' VAL . 5.6 mmpt? -62.59 -41.27 98.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.653 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -30.45 69.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.75 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.412 ' HG ' ' HE2' ' A' ' 91' ' ' TYR . 10.3 t -66.24 -38.17 87.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.567 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.1 -43.03 99.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.24 -47.04 13.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.854 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.581 ' HB3' HG11 ' A' ' 87' ' ' VAL . 31.4 mt-10 -58.73 -51.88 68.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.324 . . . . 0.0 111.125 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.484 HD21 ' CD1' ' A' ' 88' ' ' LEU . 13.3 mt -56.74 -32.26 65.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.796 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 85.3 m -59.64 -40.74 88.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.887 0.375 . . . . 0.0 110.469 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -61.31 -59.32 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.742 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.556 HG23 ' HG3' ' A' ' 83' ' ' GLU . 3.7 p -54.04 -36.61 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.925 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.5 m -58.56 -55.15 38.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -57.47 -48.44 79.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.049 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -55.34 -27.66 48.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.853 HD11 ' HB3' ' A' ' 83' ' ' GLU . 31.6 mt -82.03 -29.47 31.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -76.32 -24.79 67.46 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.749 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -78.32 -30.53 48.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.804 0.335 . . . . 0.0 111.002 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.1 m -80.08 -34.77 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.283 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.412 ' CE1' ' HD2' ' A' ' 79' ' ' LYS . 30.3 m-85 -90.46 -26.82 19.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.19 26.32 14.45 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.532 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.42 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 30.2 m -111.69 175.08 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.021 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -87.9 161.88 17.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.02 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.796 ' CZ ' HG23 ' A' ' 29' ' ' THR . 11.6 t80 -56.65 -35.53 68.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.761 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -73.19 -27.74 61.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -58.35 -38.83 78.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.475 HD12 ' CE1' ' A' ' 80' ' ' TYR . 33.5 mm -65.59 -67.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.955 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.754 ' CE2' HG11 ' A' ' 84' ' ' VAL . 6.2 m-30 -139.9 151.92 46.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.716 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -97.27 165.3 12.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.757 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.9 m -51.47 -30.64 20.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.2 m -71.21 -30.47 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.271 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.725 HG21 ' CG ' ' A' ' 47' ' ' PHE . 87.2 m -72.17 -58.36 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mt -51.24 -49.69 60.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.322 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -58.29 -36.5 73.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.809 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.533 ' CG ' HD12 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -67.31 -60.06 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.803 179.751 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.741 HD23 HD21 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -56.42 -22.45 31.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.587 179.775 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.715 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -74.37 -53.6 9.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.709 0.29 . . . . 0.0 111.051 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -45.25 87.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -53.75 53.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.952 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER 67.05 42.06 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 m -139.27 139.22 37.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.401 ' HB2' HG23 ' A' ' 85' ' ' ILE . 11.1 p -95.52 84.47 3.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.831 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.545 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -125.4 156.81 69.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.83 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -88.49 -48.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 122.673 2.249 . . . . 0.0 112.735 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -40.54 70.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 110.826 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.545 HG23 ' HB3' ' A' ' 62' ' ' ASP . 32.1 t -54.96 -27.19 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.895 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.754 HD12 HD21 ' A' ' 77' ' ' LEU . 56.2 mt -88.81 -23.89 22.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.323 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.777 HD21 ' HG2' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -61.97 -36.45 81.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.933 0.396 . . . . 0.0 110.695 179.666 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -78.24 -18.47 55.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.481 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.533 HD12 ' CG ' ' A' ' 54' ' ' LYS . 17.5 mm -63.65 144.1 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.93 0.395 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.26 128.14 35.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.0 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.56 -25.6 23.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.747 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.568 HG22 ' CE1' ' A' ' 47' ' ' PHE . 21.9 t -93.56 117.75 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 111.089 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.1 p -106.05 -171.0 1.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.777 ' HG2' HD21 ' A' ' 67' ' ' LEU . 3.5 mt-10 -70.52 -45.23 65.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.9 -31.16 71.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.04 -37.77 78.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.754 HD21 HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -82.22 -15.99 51.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.347 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.1 -30.35 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.848 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.412 ' HD2' ' CE1' ' A' ' 39' ' ' PHE . 27.1 ttpt -96.7 -57.71 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.233 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.65 ' O ' HG22 ' A' ' 84' ' ' VAL . 25.4 m-85 -80.02 -24.57 40.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.511 -179.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.52 -33.07 11.24 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.76 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.93 -24.43 65.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.32 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.853 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.15 -61.76 1.39 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.129 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.754 HG11 ' CE2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -47.96 -58.18 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.328 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.498 ' H ' HG23 ' A' ' 84' ' ' VAL . 19.3 mt -54.54 -25.99 15.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -34.8 75.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.023 0.439 . . . . 0.0 110.132 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.581 HG11 ' HB3' ' A' ' 27' ' ' GLU . 19.5 t -90.89 -22.52 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.412 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.741 HD21 HD23 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -78.99 -27.51 43.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.627 -179.48 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -47.33 -30.66 3.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.955 0.407 . . . . 0.0 111.161 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -68.06 -46.6 70.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.518 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.488 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 1.1 m-30 -58.93 -39.42 81.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.661 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.76 -27.27 67.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.701 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 179.894 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.767 0.318 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -60.05 -39.73 86.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.69 -32.24 62.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.778 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -52.74 62.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.956 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 56' ' ' ALA . 4.5 m -63.21 -35.11 70.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.85 0.357 . . . . 0.0 111.083 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -62.53 -57.83 9.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.577 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -57.2 -28.44 62.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.664 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.429 ' HA ' ' OH ' ' A' ' 91' ' ' TYR . 25.6 t -64.6 -44.83 89.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.575 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -58.47 -33.65 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.673 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.01 -47.42 8.48 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.562 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.523 ' HB3' HG11 ' A' ' 87' ' ' VAL . 3.0 mt-10 -59.64 -51.96 67.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.791 0.329 . . . . 0.0 110.974 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.596 HD21 ' CD1' ' A' ' 88' ' ' LEU . 13.3 mt -56.52 -33.66 66.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.804 HG23 ' OH ' ' A' ' 43' ' ' TYR . 80.5 m -60.12 -31.89 70.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.36 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.0 -58.36 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.608 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.624 HG23 ' HG3' ' A' ' 83' ' ' GLU . 5.6 p -55.95 -34.14 37.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.1 m -57.12 -48.66 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.634 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HE2' ' CD2' ' A' ' 43' ' ' TYR . 11.1 mttt -66.88 -42.4 85.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.743 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.7 m -57.57 -31.62 66.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.772 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.807 HD21 ' HB2' ' A' ' 83' ' ' GLU . 59.9 mt -76.76 -27.88 55.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.538 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -73.82 -19.84 79.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.727 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -90.12 -30.34 17.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 111.229 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.8 m -85.35 -29.63 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.362 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.448 ' CZ ' ' HG2' ' A' ' 79' ' ' LYS . 35.0 m-85 -96.28 -27.11 15.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.076 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.22 34.98 6.17 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.677 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.538 HG23 ' HA2' ' A' ' 36' ' ' GLY . 4.9 m -126.27 159.75 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 111.096 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.53 162.1 27.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.804 ' OH ' HG23 ' A' ' 29' ' ' THR . 11.6 t80 -58.79 -25.15 62.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.048 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -91.48 15.32 12.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.353 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.09 -28.28 11.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.753 0.311 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.462 HD13 ' CZ ' ' A' ' 80' ' ' TYR . 28.1 mm -70.89 -67.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.738 ' HE2' HG11 ' A' ' 84' ' ' VAL . 14.7 m-30 -137.94 166.25 24.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -100.51 165.19 11.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.0 m -53.92 -45.62 71.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.63 -25.36 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.433 ' CG2' HG23 ' A' ' 72' ' ' VAL . 8.3 m -72.49 -49.61 31.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.027 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.6 mt -56.65 -48.22 78.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.024 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.569 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -57.92 -26.49 62.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.919 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.757 ' HB3' HD12 ' A' ' 69' ' ' ILE . 7.6 tptt -66.09 -57.84 6.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.793 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.063 HD21 HD13 ' A' ' 66' ' ' LEU . 1.9 mp -53.96 -25.32 20.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.272 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.659 ' O ' HG12 ' A' ' 21' ' ' VAL . . . -82.76 -51.03 8.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.304 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -47.27 -28.88 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.1 t -91.85 -45.75 8.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.879 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.2 OUTLIER 66.43 45.88 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.027 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -139.04 136.37 35.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.726 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.01 84.04 3.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.937 0.399 . . . . 0.0 111.101 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.657 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -126.07 154.44 74.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.319 179.324 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -79.73 -46.47 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.737 2.291 . . . . 0.0 112.5 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.15 -36.7 74.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.351 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.657 HG23 ' HB3' ' A' ' 62' ' ' ASP . 74.0 t -55.15 -59.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.437 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.063 HD13 HD21 ' A' ' 55' ' ' LEU . 5.8 mt -57.64 -28.27 63.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.11 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.569 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -58.91 -41.8 88.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.053 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -71.96 -17.68 62.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.395 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.757 HD12 ' HB3' ' A' ' 54' ' ' LYS . 23.5 mm -63.95 133.02 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 111.061 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -60.03 127.13 30.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.42 -28.37 15.76 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.569 HG22 ' CE1' ' A' ' 47' ' ' PHE . 25.0 t -91.47 116.92 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 111.086 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.6 p -106.61 -178.12 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.81 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -30.13 70.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -78.18 -33.86 49.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -69.01 -31.71 70.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.835 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -88.58 -16.53 32.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.15 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -91.24 -29.32 17.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.351 . . . . 0.0 111.064 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.448 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -96.52 -52.15 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.458 -179.754 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.691 ' O ' HG22 ' A' ' 84' ' ' VAL . 27.7 m-85 -88.63 -24.86 22.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.525 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -47.5 -30.51 6.27 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.812 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.99 -29.0 67.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.756 0.312 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.807 ' HB2' HD21 ' A' ' 35' ' ' LEU . 2.7 tp10 -92.87 -60.36 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.057 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.738 HG11 ' HE2' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -47.88 -63.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.21 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.592 HD11 HD11 ' A' ' 77' ' ' LEU . 26.0 mt -50.8 -26.7 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.269 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -60.37 -33.44 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.039 0.447 . . . . 0.0 110.273 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.523 HG11 ' HB3' ' A' ' 27' ' ' GLU . 16.3 t -90.66 -19.71 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.195 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.707 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -88.24 -12.82 42.63 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -179.181 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -54.42 -34.01 60.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.888 0.375 . . . . 0.0 111.106 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -67.26 -31.5 71.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.879 ' HB3' HD13 ' A' ' 59' ' ' LEU . 7.4 m-30 -65.83 -53.1 44.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.5 t -54.79 -30.25 56.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.801 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.643 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.1 ptt-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.721 0.296 . . . . 0.0 111.398 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -60.31 -40.32 90.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.055 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -81.99 -29.81 31.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.416 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -66.82 -44.28 81.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.756 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 10.2 m -68.81 -44.4 81.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.184 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -60.17 -44.43 95.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.034 0.445 . . . . 0.0 110.699 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -56.44 -30.47 62.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.708 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.522 ' HB2' HD21 ' A' ' 59' ' ' LEU . 15.4 t -69.66 -31.22 69.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.709 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -43.08 96.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.58 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.78 -43.7 14.03 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.437 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.526 ' HB3' HG11 ' A' ' 87' ' ' VAL . 4.8 mm-40 -60.26 -49.62 76.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.468 ' HA ' HG12 ' A' ' 31' ' ' VAL . 12.2 mt -59.82 -29.87 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.681 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.434 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 89.6 m -60.22 -37.24 79.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.109 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.87 -60.08 3.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.568 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.845 HG23 ' OE2' ' A' ' 83' ' ' GLU . 2.8 p -50.49 -38.12 15.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.835 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.0 m -60.16 -51.16 70.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.579 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 6.0 mttt -61.12 -50.84 71.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.804 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.2 m -53.09 -29.18 29.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' ' 83' ' ' GLU . 52.3 mt -78.47 -24.37 46.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.413 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -80.81 -27.15 51.65 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.737 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -82.18 -31.92 30.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 111.12 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.6 m -79.36 -34.43 16.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.275 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.44 ' CZ ' ' HG2' ' A' ' 79' ' ' LYS . 34.6 m-85 -95.72 -27.14 15.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.028 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.04 26.7 13.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.413 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 30.4 m -112.93 158.11 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 111.068 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -70.14 162.4 28.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.056 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.434 ' CZ ' HG23 ' A' ' 29' ' ' THR . 7.8 t80 -61.65 -47.49 85.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.756 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -64.04 -29.15 70.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.36 -30.39 69.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.416 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 34.3 mm -67.32 -67.12 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.55 ' CG ' HG21 ' A' ' 51' ' ' THR . 12.9 m-30 -137.85 177.19 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.402 ' HB3' HG22 ' A' ' 50' ' ' VAL . 6.8 t30 -121.07 165.37 15.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.808 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -50.97 -34.78 30.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.144 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.402 HG22 ' HB3' ' A' ' 48' ' ' ASN . 5.5 m -71.13 -28.53 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.55 HG21 ' CG ' ' A' ' 47' ' ' PHE . 99.3 m -73.89 -54.77 7.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.8 mt -55.57 -48.62 74.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.143 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -58.64 -36.19 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.074 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.866 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -70.13 -59.95 2.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.951 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.849 HD21 HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -55.11 -23.54 21.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.203 179.63 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.756 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -85.88 -46.68 10.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.27 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -55.07 -29.52 57.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.086 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.0 -46.39 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.823 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.528 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.0 OUTLIER 63.98 52.67 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.115 0.483 . . . . 0.0 110.853 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 t -139.13 136.67 35.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.474 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.3 p -89.16 83.99 6.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.043 0.449 . . . . 0.0 111.304 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.519 ' HB3' HG23 ' A' ' 65' ' ' VAL . 88.6 m-20 -126.19 139.54 34.73 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.323 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 5.5 Cg_exo -76.61 -48.56 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.567 2.178 . . . . 0.0 112.451 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -69.28 -37.45 77.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.397 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.519 HG23 ' HB3' ' A' ' 62' ' ' ASP . 97.9 t -53.78 -44.66 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.604 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.849 HD13 HD21 ' A' ' 55' ' ' LEU . 1.6 mt -62.98 -34.54 77.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 110.49 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.541 HD21 ' HG2' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -54.59 -40.8 69.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.146 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -71.6 -18.39 62.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.866 HD12 ' HB3' ' A' ' 54' ' ' LYS . 31.0 mm -68.84 135.86 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.22 127.96 34.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.81 -26.79 23.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.621 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.474 ' CG2' HG23 ' A' ' 51' ' ' THR . 14.4 t -89.98 139.45 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 111.111 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.2 p -132.33 178.92 6.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.541 ' HG2' HD21 ' A' ' 67' ' ' LEU . 2.2 mm-40 -61.44 -38.41 87.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -68.61 -48.09 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -31.43 72.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.778 HD21 HD12 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -85.02 -22.13 29.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -85.19 -28.79 25.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.682 0.277 . . . . 0.0 111.248 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.44 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -96.16 -51.31 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 111.323 -179.787 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.658 ' CD1' HD13 ' A' ' 35' ' ' LEU . 22.1 m-85 -83.33 -13.0 55.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.603 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.447 ' HA2' HG22 ' A' ' 84' ' ' VAL . . . -53.38 -38.44 57.48 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.779 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.26 -28.57 69.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.699 0.285 . . . . 0.0 111.35 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.845 ' OE2' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -96.37 -57.84 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.457 -179.619 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.771 ' O ' HD12 ' A' ' 88' ' ' LEU . 33.2 m -47.24 -44.92 8.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.971 0.415 . . . . 0.0 111.54 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.656 HG12 HG23 ' A' ' 84' ' ' VAL . 2.0 mm -70.06 -25.94 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.295 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.9 t -59.71 -32.72 70.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.384 . . . . 0.0 110.5 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.526 HG11 ' HB3' ' A' ' 27' ' ' GLU . 17.2 t -90.46 -29.06 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.189 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.771 HD12 ' O ' ' A' ' 84' ' ' VAL . 0.8 OUTLIER -73.58 -22.85 59.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.426 -179.55 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -54.13 -25.11 20.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.702 0.287 . . . . 0.0 111.182 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -73.35 -29.62 62.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.168 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.678 ' HD2' HD23 ' A' ' 88' ' ' LEU . 2.0 m-30 -72.32 -53.28 12.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.079 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -57.96 -22.98 51.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.338 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.385 -179.813 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.897 0.379 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -35.39 78.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.65 -31.4 65.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.9 mtp -59.45 -57.16 14.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.686 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 3.8 m -59.19 -35.07 55.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.227 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -64.28 -61.67 2.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.595 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -54.12 -28.7 41.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.576 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.4 t -63.72 -44.63 93.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.382 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -36.48 69.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.709 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.21 -41.08 22.59 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.598 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.506 ' HB3' HG11 ' A' ' 87' ' ' VAL . 35.0 mm-40 -62.22 -54.33 42.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.347 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.444 ' HA ' HG12 ' A' ' 31' ' ' VAL . 15.4 mt -57.7 -28.23 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.404 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 85.8 m -61.81 -42.75 99.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.4 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -61.0 -58.47 8.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.73 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 28' ' ' LEU . 5.1 p -53.93 -38.01 35.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.977 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.4 m -58.97 -49.28 78.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -64.02 -45.23 89.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.898 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.1 m -56.2 -33.84 65.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.703 HD13 ' CD1' ' A' ' 80' ' ' TYR . 51.9 mt -73.43 -23.9 60.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.443 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -73.99 -45.16 27.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.789 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -64.47 -22.54 66.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.69 0.281 . . . . 0.0 111.403 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.3 m -92.18 -35.64 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.538 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.536 ' O ' HG13 ' A' ' 41' ' ' VAL . 48.4 m-85 -100.41 17.48 21.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.319 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.02 25.12 9.49 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.063 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 39' ' ' PHE . 28.9 m -112.49 149.7 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.059 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -71.38 162.29 29.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.288 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.404 ' CZ ' HG23 ' A' ' 29' ' ' THR . 6.0 t80 -54.68 -53.79 50.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.971 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -25.22 63.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.067 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -59.1 -42.89 91.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.474 HD12 ' CE1' ' A' ' 80' ' ' TYR . 46.7 mm -60.69 -67.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.99 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.664 ' CE2' HG11 ' A' ' 84' ' ' VAL . 16.5 m-30 -137.11 -179.88 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -118.34 165.05 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.643 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.485 ' HA ' HD12 ' A' ' 52' ' ' LEU . 19.9 m -54.76 -41.72 70.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.17 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.9 p -73.14 -26.83 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.335 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.567 ' CG2' HG23 ' A' ' 72' ' ' VAL . 2.3 m -73.76 -48.47 31.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.119 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 49' ' ' THR . 2.6 mt -57.05 -46.17 82.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.966 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -59.83 -29.74 68.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.816 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.83 ' HB3' HD12 ' A' ' 69' ' ' ILE . 8.8 mptt -63.16 -57.58 10.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.801 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.524 ' CG ' HD22 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -57.63 -25.31 59.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.324 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.686 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -81.33 -50.02 10.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.014 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -48.65 -28.35 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.98 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.6 -44.77 8.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.726 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.881 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.2 OUTLIER 67.11 49.0 1.14 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.716 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -139.17 148.98 43.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.743 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.9 p -103.07 84.54 2.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 111.059 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.536 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 2.3 m-20 -125.63 155.11 72.8 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.805 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -89.24 -51.08 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.882 2.388 . . . . 0.0 112.806 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -40.34 78.07 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.773 0.321 . . . . 0.0 111.04 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.481 HG23 ' HB3' ' A' ' 62' ' ' ASP . 47.9 t -52.43 -26.29 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.723 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.087 HD12 HD21 ' A' ' 77' ' ' LEU . 25.5 mt -86.24 -29.68 22.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.042 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.556 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -55.41 -35.15 65.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.338 179.49 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.61 -21.53 44.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.108 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.83 HD12 ' HB3' ' A' ' 54' ' ' LYS . 17.3 mm -63.71 134.4 28.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.87 0.367 . . . . 0.0 110.961 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.47 116.78 7.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.981 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.21 -27.32 9.61 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.628 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.618 HG22 ' CE1' ' A' ' 47' ' ' PHE . 21.8 t -98.07 122.15 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 111.232 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.6 p -112.19 -177.41 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -66.62 -29.6 69.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -78.15 -34.97 49.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -71.33 -36.94 71.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.048 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.087 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -82.91 -11.85 57.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -91.15 -32.76 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.788 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.44 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -96.63 -48.28 5.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.263 -179.733 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.703 ' CD1' HD13 ' A' ' 35' ' ' LEU . 26.0 m-85 -87.29 -23.85 24.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.642 -179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.411 ' HA3' HD13 ' A' ' 77' ' ' LEU . . . -47.95 -27.09 4.74 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.949 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.58 -25.64 59.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.737 0.303 . . . . 0.0 111.164 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.627 ' CG ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.18 -58.68 2.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.263 -179.825 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.668 ' O ' HD12 ' A' ' 88' ' ' LEU . 3.1 m -48.99 -54.34 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.506 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.492 ' H ' HG23 ' A' ' 84' ' ' VAL . 23.4 mt -60.16 -26.03 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.5 t -59.98 -33.83 72.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.037 0.446 . . . . 0.0 110.322 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.506 HG11 ' HB3' ' A' ' 27' ' ' GLU . 13.8 t -90.68 -19.81 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.446 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.785 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -84.99 -21.95 29.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.759 -179.312 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -50.69 -32.66 20.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.898 0.38 . . . . 0.0 111.026 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -67.5 -30.93 70.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.881 ' HB3' HD13 ' A' ' 59' ' ' LEU . 8.2 m-30 -66.93 -53.44 31.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.8 t -54.26 -30.13 49.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.748 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.73 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.797 0.332 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.1 -29.5 61.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HA ' ' CE ' ' A' ' 22' ' ' LYS . 6.9 tt0 -75.55 -22.27 57.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.34 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.404 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 60.0 mmm -82.95 -33.05 26.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.305 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 17' ' ' ARG . 1.5 m -73.59 -46.83 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.537 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.449 ' N ' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -65.12 -40.03 93.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.776 0.322 . . . . 0.0 110.676 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -31.16 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.467 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.567 ' HB2' HD21 ' A' ' 59' ' ' LEU . 4.8 t -69.34 -34.78 75.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.51 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -40.9 93.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.764 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.23 -42.0 20.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.692 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.538 ' HB3' HG11 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -61.71 -50.95 70.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 28' ' ' LEU . 13.0 mt -59.42 -27.75 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.024 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.789 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 90.6 m -62.69 -44.03 97.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.918 0.39 . . . . 0.0 110.387 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.55 -58.11 9.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.805 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.796 HG23 ' CD ' ' A' ' 83' ' ' GLU . 3.2 p -50.94 -42.94 24.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.17 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.7 m -60.07 -49.81 76.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 27.1 mttt -59.69 -51.02 71.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.2 t -55.75 -30.57 61.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.686 HD11 ' HB3' ' A' ' 83' ' ' GLU . 52.0 mt -75.47 -26.17 57.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.824 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.427 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -80.69 -30.87 38.12 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.605 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.75 -27.35 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 0.0 110.985 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.9 m -86.81 -33.57 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.312 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CE1' ' HE2' ' A' ' 79' ' ' LYS . 24.2 m-85 -94.02 -26.64 16.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.19 26.3 14.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.705 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.427 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 16.6 m -113.36 158.39 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.92 0.391 . . . . 0.0 111.053 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -70.09 162.0 29.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.789 ' CZ ' HG23 ' A' ' 29' ' ' THR . 12.7 t80 -61.17 -34.49 75.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.794 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -76.52 -28.34 56.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.003 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -58.07 -30.84 66.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.452 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 33.7 mm -70.57 -67.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.014 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.739 ' CE2' HG11 ' A' ' 84' ' ' VAL . 9.1 m-30 -138.43 150.76 46.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' HB3' HG22 ' A' ' 50' ' ' VAL . 7.9 t30 -93.93 165.21 12.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.837 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 m -51.78 -34.8 41.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.44 HG22 ' HB3' ' A' ' 48' ' ' ASN . 6.1 m -69.88 -28.49 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.647 HG21 ' CG ' ' A' ' 47' ' ' PHE . 86.9 m -72.15 -59.18 2.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.4 mt -50.53 -47.88 57.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.223 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -35.23 74.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.746 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.919 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -67.4 -56.77 8.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.69 179.621 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.81 HD23 HD21 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -60.78 -18.86 57.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.513 179.575 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -84.91 -54.49 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.327 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.54 -29.79 27.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.127 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.2 p -89.04 -52.6 4.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.603 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.1 OUTLIER 66.31 52.42 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.058 0.456 . . . . 0.0 110.81 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.16 134.68 33.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.585 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.404 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . 0.6 OUTLIER -89.39 84.58 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.128 -179.863 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.518 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -125.69 155.1 72.98 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.681 179.433 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -88.8 -48.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.803 2.335 . . . . 0.0 112.825 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.25 -40.74 67.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.482 HG23 ' HB3' ' A' ' 62' ' ' ASP . 42.7 t -54.17 -25.89 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.794 HD12 HD21 ' A' ' 77' ' ' LEU . 29.4 mt -84.19 -29.92 26.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.807 HD21 ' HG3' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -59.91 -37.19 78.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.934 0.397 . . . . 0.0 110.861 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -75.01 -19.07 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.364 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.919 HD12 ' HB3' ' A' ' 54' ' ' LYS . 24.8 mm -63.96 137.78 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.907 0.384 . . . . 0.0 111.054 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.5 128.53 36.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.76 -27.88 14.48 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.529 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.494 ' CG2' HG23 ' A' ' 51' ' ' THR . 7.4 t -86.23 133.19 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.323 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.6 p -129.39 -178.27 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.807 ' HG3' HD21 ' A' ' 67' ' ' LEU . 2.4 mp0 -62.93 -32.32 73.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -74.17 -36.33 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.023 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -31.88 63.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.794 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -86.71 -19.88 28.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.077 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -91.26 -30.25 16.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.711 0.291 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.417 ' HE2' ' CE1' ' A' ' 39' ' ' PHE . 9.5 tttt -96.06 -58.26 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.345 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.607 ' O ' HG22 ' A' ' 84' ' ' VAL . 27.5 m-85 -83.74 -6.6 59.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.595 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.437 ' HA2' HG22 ' A' ' 84' ' ' VAL . . . -57.9 -47.64 87.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.745 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.76 -26.29 33.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.639 0.257 . . . . 0.0 111.627 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.796 ' CD ' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -96.19 -61.35 1.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.702 0.287 . . . . 0.0 111.467 -179.578 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.739 HG11 ' CE2' ' A' ' 47' ' ' PHE . 28.8 m -47.44 -45.53 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-O 120.859 0.361 . . . . 0.0 111.314 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.634 HG12 HG23 ' A' ' 84' ' ' VAL . 1.3 mm -65.94 -30.22 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.219 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -57.62 -32.21 67.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.917 0.389 . . . . 0.0 110.464 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.538 HG11 ' HB3' ' A' ' 27' ' ' GLU . 13.0 t -90.42 -22.15 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.262 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.81 HD21 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -78.77 -28.87 44.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.522 -179.638 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -49.68 -28.14 5.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -72.24 -30.3 64.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.016 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.603 ' HB3' HD13 ' A' ' 59' ' ' LEU . 3.4 m-30 -73.03 -45.17 59.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.047 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.9 m -62.26 -25.22 67.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.51 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.585 0.231 . . . . 0.0 111.438 -179.566 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.664 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.715 0.293 . . . . 0.0 110.918 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.28 -44.86 90.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.64 -24.83 53.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.43 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 78.6 mmm -70.66 -44.58 66.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.7 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 9.4 m -67.53 -38.58 80.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.395 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -51.08 68.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.996 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.07 -27.7 34.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.174 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.603 ' HB2' HD21 ' A' ' 59' ' ' LEU . 17.3 t -70.9 -38.3 72.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.099 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 53' ' ' LYS . 0.7 OUTLIER -61.49 -37.05 82.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.865 0.364 . . . . 0.0 110.729 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.79 -49.29 7.21 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.721 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.618 ' HB3' HG11 ' A' ' 87' ' ' VAL . 14.3 mm-40 -58.35 -47.35 84.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.337 . . . . 0.0 110.988 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 28' ' ' LEU . 14.1 mt -60.3 -30.91 69.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.07 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.64 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 89.0 m -59.96 -44.59 94.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.814 0.34 . . . . 0.0 110.454 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -59.56 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.815 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 28' ' ' LEU . 4.7 p -52.77 -38.36 27.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -58.0 -53.98 52.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -60.08 -46.89 88.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.927 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 m -54.61 -29.76 52.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.768 HD11 ' HB3' ' A' ' 83' ' ' GLU . 45.3 mt -81.2 -21.04 39.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.048 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.433 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -83.87 -38.08 10.84 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.766 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -22.14 60.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.722 0.296 . . . . 0.0 111.185 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m -90.51 -32.19 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.439 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -96.35 -22.06 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.175 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.4 23.4 21.83 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.77 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.433 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 29.3 m -115.07 149.46 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.72 161.81 19.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.195 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.64 ' CZ ' HG23 ' A' ' 29' ' ' THR . 7.0 t80 -56.43 -53.23 59.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.821 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.7 -26.38 65.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.987 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -36.44 72.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.999 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.454 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 34.8 mm -66.12 -67.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.065 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.689 ' CE2' HG11 ' A' ' 84' ' ' VAL . 11.8 m-30 -137.67 143.79 41.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.65 165.33 21.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.756 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m -51.28 -47.41 62.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.063 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.9 p -70.7 -21.83 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.283 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.546 HG23 HG23 ' A' ' 72' ' ' VAL . 25.6 m -73.12 -51.13 19.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.104 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.17 -51.02 71.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.036 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HA ' HD12 ' A' ' 25' ' ' LEU . 10.5 ptpt -54.27 -27.82 37.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.886 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.62 ' HB3' HD12 ' A' ' 69' ' ' ILE . 3.5 mptt -66.59 -59.07 3.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.554 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.549 ' CG ' HD22 ' A' ' 66' ' ' LEU . 1.0 OUTLIER -58.06 -21.76 47.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.286 179.345 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.7 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -79.74 -49.76 11.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.107 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.55 -33.81 64.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -83.49 -50.35 8.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER 63.96 49.12 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.903 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -139.0 124.85 19.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.729 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.59 84.7 5.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.096 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.528 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -125.39 156.16 70.61 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.593 179.703 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -88.94 -50.42 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.754 2.302 . . . . 0.0 112.953 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -39.42 67.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.721 0.296 . . . . 0.0 111.381 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.7 t -53.09 -25.31 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.848 HD12 HD21 ' A' ' 77' ' ' LEU . 25.6 mt -85.52 -30.37 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.639 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -57.51 -36.71 71.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.737 179.557 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -75.29 -21.27 58.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.62 HD12 ' HB3' ' A' ' 54' ' ' LYS . 20.6 mm -63.89 142.74 16.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.88 0.371 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -66.81 131.05 45.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.91 -34.93 4.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.575 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.546 HG23 HG23 ' A' ' 51' ' ' THR . 14.8 t -79.37 137.74 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.811 0.338 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 p -133.1 -177.6 4.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -32.63 72.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.147 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -77.36 -29.54 53.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.186 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.96 -31.44 22.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.848 HD21 HD12 ' A' ' 66' ' ' LEU . 1.1 tm? -81.54 -27.01 34.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -86.3 -23.79 26.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -96.06 -54.68 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.221 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.663 ' O ' HG22 ' A' ' 84' ' ' VAL . 24.1 m-85 -82.26 -23.84 35.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.412 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -47.04 -28.98 4.35 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.982 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.57 -27.74 64.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.74 0.305 . . . . 0.0 111.345 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.768 ' HB3' HD11 ' A' ' 35' ' ' LEU . 1.4 tp10 -95.98 -59.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.202 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.689 HG11 ' CE2' ' A' ' 47' ' ' PHE . 2.2 m -48.19 -54.29 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.429 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.466 ' H ' HG23 ' A' ' 84' ' ' VAL . 21.7 mt -58.23 -28.36 34.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -33.66 70.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.024 0.44 . . . . 0.0 110.292 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.618 HG11 ' HB3' ' A' ' 27' ' ' GLU . 14.1 t -90.66 -19.94 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.495 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.634 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -85.18 -19.16 32.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.299 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.83 -28.94 53.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.858 0.361 . . . . 0.0 111.052 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -69.96 -30.04 67.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.313 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.634 ' HD2' HD23 ' A' ' 88' ' ' LEU . 3.4 m-30 -70.95 -52.62 18.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 0.0 110.984 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.0 p -55.23 -25.94 36.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.175 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.844 0.354 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.48 -29.92 66.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -75.66 -26.97 58.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.901 ' HB3' HD11 ' A' ' 59' ' ' LEU . 73.6 mmm -74.68 -50.37 17.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.067 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.794 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 35.3 m -55.9 -43.64 75.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.888 0.375 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.449 ' N ' HG23 ' A' ' 21' ' ' VAL . 12.7 mmtm -63.31 -40.38 97.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.083 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -31.61 71.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.495 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.504 ' HG ' ' HE2' ' A' ' 91' ' ' TYR . 11.7 t -62.54 -39.8 94.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.211 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -62.25 -35.32 78.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.673 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.45 -56.99 3.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.693 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -54.4 -41.94 69.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.334 . . . . 0.0 111.062 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.822 HD22 HG23 ' A' ' 84' ' ' VAL . 16.2 mt -63.58 -30.61 71.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.619 HG23 ' OH ' ' A' ' 43' ' ' TYR . 91.4 m -62.62 -32.8 73.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.5 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.06 -58.26 4.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.797 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.656 HG21 ' HA ' ' A' ' 84' ' ' VAL . 7.3 p -54.15 -30.83 20.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.92 0.39 . . . . 0.0 111.07 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.5 m -65.26 -39.93 93.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.57 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HE2' ' CD1' ' A' ' 43' ' ' TYR . 10.8 mttt -74.57 -44.94 48.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.811 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.565 ' O ' HG13 ' A' ' 38' ' ' VAL . 12.5 m -55.88 -33.21 64.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.814 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.819 HD13 ' CD1' ' A' ' 80' ' ' TYR . 66.1 mt -74.09 -28.34 61.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.693 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.416 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -78.73 -35.84 30.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.547 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -74.85 -27.87 60.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.726 0.298 . . . . 0.0 111.038 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 34' ' ' SER . 32.8 m -84.4 -45.35 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.434 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.504 ' N ' HG23 ' A' ' 38' ' ' VAL . 47.2 m-85 -86.43 -26.23 24.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.28 25.39 16.56 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.717 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.416 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 15.8 m -109.53 152.75 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.983 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -60.87 160.44 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.197 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.619 ' OH ' HG23 ' A' ' 29' ' ' THR . 11.3 t80 -59.59 -51.28 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.715 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -66.13 -17.46 64.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.235 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -30.13 67.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.238 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.625 HD12 ' CE1' ' A' ' 80' ' ' TYR . 15.8 mm -75.4 -67.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.251 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.608 ' HE2' HG21 ' A' ' 84' ' ' VAL . 22.7 m-85 -139.82 158.32 44.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -93.99 165.2 12.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.3 m -56.05 -39.7 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.1 p -74.1 -24.69 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.421 HG23 HG23 ' A' ' 72' ' ' VAL . 39.2 m -74.51 -48.34 27.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.099 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 47' ' ' PHE . 76.1 mt -58.82 -46.42 87.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.51 ' HA ' HD12 ' A' ' 25' ' ' LEU . 4.3 ptpt -58.95 -32.77 69.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.955 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.678 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -63.55 -58.54 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.835 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.692 HD21 HD22 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -57.71 -22.07 44.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.364 179.697 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.794 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -75.44 -55.16 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.262 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.74 -32.55 59.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.5 p -75.35 -46.5 32.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.768 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.901 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER 63.95 41.98 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.04 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 p -139.15 135.32 33.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.772 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.1 t -93.99 85.3 4.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.528 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.4 m-20 -124.65 156.48 68.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.673 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -87.83 -47.33 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.87 2.38 . . . . 0.0 113.058 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.9 -40.58 60.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.43 HG23 ' HB3' ' A' ' 62' ' ' ASP . 58.4 t -50.42 -26.26 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.15 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.97 HD12 HD21 ' A' ' 77' ' ' LEU . 3.8 mt -88.05 -30.85 19.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.725 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.442 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -52.24 -37.09 54.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 179.739 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -77.33 -23.97 50.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.885 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.678 HD12 ' HB3' ' A' ' 54' ' ' LYS . 18.5 mm -63.64 136.26 26.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -65.28 127.81 33.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 104.56 -32.83 7.1 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.421 HG23 HG23 ' A' ' 51' ' ' THR . 17.4 t -83.33 138.15 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.1 -176.58 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -69.41 -30.83 68.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -77.6 -35.33 52.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -71.05 -39.9 71.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.97 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -82.7 -11.92 57.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.318 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -84.14 -41.47 17.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.756 0.312 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HE3' ' CE2' ' A' ' 39' ' ' PHE . 21.8 ttpt -93.43 -57.95 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.092 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.859 ' O ' HG12 ' A' ' 84' ' ' VAL . 12.2 m-85 -70.96 -11.32 60.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.294 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.81 -14.29 36.53 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.096 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.5 -25.66 15.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.936 0.368 . . . . 0.0 111.687 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.668 ' CG ' HD21 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -96.57 -69.89 0.74 Allowed 'General case' 0 C--O 1.233 0.228 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.272 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.859 HG12 ' O ' ' A' ' 80' ' ' TYR . 7.2 p -53.75 -32.78 21.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.719 -179.081 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.1 mm -72.01 -33.37 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.518 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 t -57.93 -30.31 65.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.146 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.5 t -82.11 -21.3 9.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.892 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.712 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -84.51 -25.05 29.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.436 -179.658 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -51.48 -31.81 24.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 110.738 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -65.17 -45.04 86.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.755 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.712 ' HD2' HD23 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -60.49 -38.48 84.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.527 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.2 t -58.41 -30.34 66.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.856 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.995 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.136 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 pt -110.8 83.64 3.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.73 0.3 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.55 152.18 59.48 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.517 2.145 . . . . 0.0 112.333 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -105.07 123.06 47.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -126.78 171.49 11.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt 69.29 10.75 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.417 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 46.57 -166.25 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.808 0.337 . . . . 0.0 111.303 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.38 -60.74 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.795 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.07 90.31 3.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.045 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 mp -70.11 137.91 51.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.595 ' O ' HG13 ' A' ' 11' ' ' VAL . 9.3 p -175.18 107.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.024 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 59.85 174.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -147.48 -66.45 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.28 73.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.1 -52.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -69.37 -34.32 74.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.597 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -68.12 -37.48 81.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.79 -43.64 94.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -20.24 59.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.044 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.549 ' CB ' HD11 ' A' ' 59' ' ' LEU . 67.5 mmm -79.07 -42.52 26.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.214 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.746 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 5.7 m -65.88 -36.51 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 110.773 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -63.69 -46.87 83.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.479 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -32.11 67.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.617 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.39 -37.58 87.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.3 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.08 -40.19 92.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.654 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.28 -53.77 5.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.671 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.642 ' HB3' HG11 ' A' ' 87' ' ' VAL . 0.5 OUTLIER -53.87 -46.74 71.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.78 0.324 . . . . 0.0 111.038 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' ' 55' ' ' LEU . 12.2 mt -59.59 -30.57 68.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 m -59.31 -47.47 85.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.549 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -58.42 -59.94 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.664 HG23 ' OE1' ' A' ' 83' ' ' GLU . 4.1 p -51.62 -40.41 25.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.2 m -59.93 -51.02 71.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.731 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -59.43 -48.7 80.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.764 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 m -57.4 -30.47 64.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.843 HD21 ' HG3' ' A' ' 83' ' ' GLU . 33.2 mt -75.97 -30.15 58.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.64 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -72.97 -46.96 26.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.595 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -59.96 -24.07 64.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.66 0.267 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.85 -34.19 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.443 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -96.22 18.0 14.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.331 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.97 39.42 40.59 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.996 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.64 HG23 ' HA2' ' A' ' 36' ' ' GLY . 5.6 m -132.99 162.33 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.897 0.379 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.41 162.39 23.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.214 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -52.72 -54.57 31.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.033 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -58.86 -23.28 60.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -63.91 -29.83 70.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.113 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.487 HD12 ' CZ ' ' A' ' 80' ' ' TYR . 29.9 mm -71.86 -67.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.259 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.756 ' CE2' HG11 ' A' ' 84' ' ' VAL . 8.3 m-30 -138.19 143.88 40.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -84.68 165.35 17.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.459 ' HA ' HD12 ' A' ' 52' ' ' LEU . 1.8 m -49.09 -43.83 41.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.106 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 m -63.09 -30.04 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.613 HG21 ' CG ' ' A' ' 47' ' ' PHE . 99.1 m -75.39 -50.03 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 49' ' ' THR . 6.0 mt -52.8 -45.88 67.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.048 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -66.54 -36.38 82.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.767 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.923 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -60.93 -55.78 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.776 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.553 ' CD1' HD22 ' A' ' 66' ' ' LEU . 6.3 mp -53.0 -25.3 11.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.103 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.746 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -88.71 -59.08 2.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.618 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -44.54 -30.19 0.85 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.218 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 t -90.57 -41.45 11.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.661 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.739 ' HG ' HG12 ' A' ' 21' ' ' VAL . 8.0 mt 59.45 26.28 15.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 m -122.18 121.19 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.32 84.32 7.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.785 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.56 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -125.25 147.76 58.5 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.785 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 4.6 Cg_exo -75.78 -43.47 0.34 Allowed 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.516 2.144 . . . . 0.0 112.153 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.19 -35.59 61.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.56 HG23 ' HB3' ' A' ' 62' ' ' ASP . 23.0 t -68.72 -43.38 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.973 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.816 ' HB2' HD21 ' A' ' 77' ' ' LEU . 36.3 mt -73.69 -17.87 61.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.252 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.638 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -74.06 -36.34 64.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.88 0.372 . . . . 0.0 110.866 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.35 -3.68 34.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.712 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.923 HD12 ' HB3' ' A' ' 54' ' ' LYS . 26.3 mm -63.72 145.81 13.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.845 0.355 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -65.31 114.74 4.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.031 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.68 -34.83 5.42 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.637 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.439 ' CG2' HG23 ' A' ' 51' ' ' THR . 35.2 t -72.83 140.77 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.927 0.394 . . . . 0.0 111.218 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.5 p -131.84 -178.52 4.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.764 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.617 ' HA ' HD21 ' A' ' 67' ' ' LEU . 11.5 tt0 -62.76 -29.77 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -77.22 -28.73 53.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -81.32 -33.97 32.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.04 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.816 HD21 ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -81.08 -20.47 41.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -91.17 -29.3 17.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.47 -58.17 2.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.305 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.819 ' O ' HG22 ' A' ' 84' ' ' VAL . 24.3 m-85 -81.48 -28.0 34.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.423 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.422 ' HA2' HG23 ' A' ' 84' ' ' VAL . . . -47.03 -43.92 18.16 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.894 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.61 -27.82 63.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.712 0.291 . . . . 0.0 111.23 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.843 ' HG3' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.28 -60.95 1.51 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.273 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 80' ' ' TYR . 0.7 OUTLIER -50.69 -44.9 26.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.522 -179.62 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.555 HD11 HD11 ' A' ' 77' ' ' LEU . 43.0 mt -67.98 -29.84 46.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.691 0.282 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.4 t -56.3 -30.67 62.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.034 0.445 . . . . 0.0 110.318 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.642 HG11 ' HB3' ' A' ' 27' ' ' GLU . 21.7 t -90.73 -19.51 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.416 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.645 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -87.01 -21.11 26.33 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.205 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.51 -36.61 55.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.0 0.428 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -59.93 -45.21 93.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.692 ' HB3' HD22 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -60.21 -39.6 87.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.55 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.21 -29.5 58.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.747 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.95 -27.81 24.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.895 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -84.23 -30.26 25.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 t -71.51 -40.18 70.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.095 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -84.17 152.16 61.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.93 170.02 18.99 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.625 2.217 . . . . 0.0 112.347 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 59.46 164.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -157.58 75.74 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.28 163.97 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.906 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.1 pt -109.21 98.0 28.81 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-O 120.589 0.233 . . . . 0.0 111.147 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.53 -172.59 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.473 2.116 . . . . 0.0 112.266 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.28 133.84 55.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -126.46 147.81 49.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.21 140.25 58.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -83.32 126.56 32.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 175.74 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.26 93.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mt -96.64 164.92 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.644 HG13 ' HB3' ' A' ' 97' ' ' PRO . 17.1 m -113.78 145.56 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.69 -48.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.29 156.87 18.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.48 44.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.18 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.6 p -103.74 -39.67 6.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -68.34 -35.76 78.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.804 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.66 -50.01 75.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.34 -30.38 68.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -78.26 -30.3 48.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.926 ' HB3' HD11 ' A' ' 59' ' ' LEU . 55.0 mmm -73.63 -47.83 37.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.73 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 18.5 m -58.24 -41.81 81.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.95 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 21' ' ' VAL . 7.7 mmpt? -60.96 -40.52 93.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.558 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -59.56 -30.44 68.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.595 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.431 ' HG ' ' HE2' ' A' ' 91' ' ' TYR . 15.3 t -67.81 -35.15 78.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.456 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.14 -43.49 98.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.716 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.37 -45.45 14.46 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.701 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' HB3' HG11 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -59.48 -50.55 73.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.047 -179.775 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.43 ' HA ' HG12 ' A' ' 31' ' ' VAL . 13.1 mt -59.35 -28.07 66.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.761 HG23 ' OH ' ' A' ' 43' ' ' TYR . 87.4 m -61.73 -45.0 95.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.874 0.368 . . . . 0.0 110.394 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -59.69 -58.74 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.778 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 ' OE1' ' A' ' 83' ' ' GLU . 7.3 p -54.48 -34.16 28.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.903 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -63.5 -53.19 55.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.615 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HE2' ' CE2' ' A' ' 43' ' ' TYR . 16.2 mttt -59.26 -51.46 69.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -56.11 -29.72 61.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.571 HD21 ' HG3' ' A' ' 83' ' ' GLU . 18.4 mt -71.29 -27.25 63.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.431 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -77.74 -34.29 39.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.77 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.84 -26.46 59.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.16 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -87.17 -36.28 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.388 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.432 ' CZ ' ' HG3' ' A' ' 79' ' ' LYS . 26.9 m-85 -92.02 -25.19 18.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.35 28.35 10.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.644 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.464 HG23 HD11 ' A' ' 46' ' ' ILE . 10.8 m -119.07 161.06 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.846 0.355 . . . . 0.0 111.002 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.44 162.41 29.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.057 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.761 ' OH ' HG23 ' A' ' 29' ' ' THR . 8.1 t80 -58.6 -50.81 72.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.75 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -28.42 69.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.066 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.98 -29.1 66.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.021 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.464 HD11 HG23 ' A' ' 41' ' ' VAL . 25.0 mm -69.25 -67.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.915 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.723 ' HE2' HG11 ' A' ' 84' ' ' VAL . 9.1 m-30 -138.99 173.72 11.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.729 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.89 165.21 12.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.764 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.7 m -53.07 -34.12 55.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.954 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.8 p -73.51 -29.82 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.565 HG21 ' CG ' ' A' ' 47' ' ' PHE . 97.8 m -69.4 -54.33 14.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -54.27 -50.37 67.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.93 -31.42 64.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.645 ' CG ' HD12 ' A' ' 69' ' ' ILE . 2.2 tptt -69.69 -59.35 3.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.683 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.86 HD21 HD13 ' A' ' 66' ' ' LEU . 1.1 mp -56.32 -22.63 31.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.111 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.73 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -76.31 -59.24 2.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.75 -34.77 40.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.039 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -68.81 -51.05 44.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.71 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.926 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.2 OUTLIER 63.94 41.19 6.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.736 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.6 m -139.11 144.62 38.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.78 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -98.35 84.5 3.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.059 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 55.5 m-20 -125.37 156.49 70.08 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.543 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -87.82 -49.85 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.738 2.292 . . . . 0.0 112.912 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -37.26 66.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.835 0.35 . . . . 0.0 111.411 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.423 HG23 ' HB3' ' A' ' 62' ' ' ASP . 47.7 t -53.31 -26.06 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.864 HD12 HD21 ' A' ' 77' ' ' LEU . 12.8 mt -86.34 -28.83 23.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.036 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.639 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -57.93 -37.96 75.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.945 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -73.46 -10.18 59.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.326 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.645 HD12 ' CG ' ' A' ' 54' ' ' LYS . 19.4 mm -74.02 136.78 24.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.863 0.363 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.45 125.22 22.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.01 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.89 -31.55 8.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.585 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.465 ' CG2' HG23 ' A' ' 51' ' ' THR . 9.8 t -85.07 114.0 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 0.0 111.064 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.27 -176.88 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' HA ' HD21 ' A' ' 67' ' ' LEU . 7.1 mm-40 -67.55 -19.62 65.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -90.04 -38.0 13.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.926 0.393 . . . . 0.0 111.215 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -67.78 -37.05 81.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.864 HD21 HD12 ' A' ' 66' ' ' LEU . 1.1 tm? -78.45 -24.05 46.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.414 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -87.47 -27.14 22.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.659 0.266 . . . . 0.0 111.485 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.432 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -96.38 -24.86 15.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.731 -179.527 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.819 ' O ' HG22 ' A' ' 84' ' ' VAL . 43.5 m-85 -114.16 -23.08 9.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -45.75 -39.76 8.61 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.112 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.62 -27.13 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.778 0.323 . . . . 0.0 111.288 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.571 ' HG3' HD21 ' A' ' 35' ' ' LEU . 5.3 mm-40 -96.27 -60.29 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.274 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -47.28 -55.36 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.386 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.2 mt -57.51 -29.84 34.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.082 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.1 t -56.41 -32.74 65.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.966 0.413 . . . . 0.0 110.438 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.423 HG11 ' HB3' ' A' ' 27' ' ' GLU . 15.4 t -90.58 -19.8 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.345 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.756 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -86.01 -15.4 41.56 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.301 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.72 -35.62 61.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.824 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -63.96 -43.5 95.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.756 ' HD2' HD23 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -60.5 -41.56 94.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.666 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -31.9 63.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.666 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -80.51 -27.11 37.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.798 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -91.98 -7.13 49.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.489 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.1 m -66.62 -31.83 72.78 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.885 0.374 . . . . 0.0 110.999 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.0 t -110.05 142.36 25.74 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.644 ' HB3' HG13 ' A' ' 11' ' ' VAL . 52.0 Cg_endo -69.43 -46.49 1.34 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.532 2.154 . . . . 0.0 112.225 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.28 174.92 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -85.9 -31.18 22.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -169.34 37.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.877 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.8 pt -111.41 147.36 36.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.693 0.282 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.37 143.29 38.73 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.489 2.126 . . . . 0.0 112.328 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.33 31.66 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.791 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -109.37 155.85 20.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.1 pttt -105.14 122.55 46.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.7 130.34 35.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.79 -31.05 7.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.9 164.46 25.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 tp -146.76 32.86 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.65 -61.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.52 146.42 42.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -101.53 -40.86 6.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.492 HG22 ' N ' ' A' ' 15' ' ' SER . 10.8 p -72.21 158.44 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.492 ' N ' HG22 ' A' ' 14' ' ' VAL . 1.2 m -68.23 92.79 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.94 -20.66 28.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -29.34 33.69 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.867 0.365 . . . . 0.0 111.088 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.98 -56.59 15.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -60.16 -26.3 66.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.6 mtp -62.57 -63.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.343 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.579 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 2.9 m -52.24 -43.53 39.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.731 0.301 . . . . 0.0 111.238 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -59.74 -48.68 80.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.035 0.445 . . . . 0.0 110.376 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -32.48 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.47 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.456 ' HA ' ' OH ' ' A' ' 91' ' ' TYR . 10.3 t -68.19 -34.28 75.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.602 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.29 -38.56 87.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.533 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.31 -43.84 12.32 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.56 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.515 ' HB3' HG11 ' A' ' 87' ' ' VAL . 26.2 mt-10 -60.08 -50.88 71.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 55' ' ' LEU . 13.0 mt -59.27 -31.07 68.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.511 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 95.1 m -60.09 -36.83 78.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.511 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.84 -59.1 3.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.738 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.546 HG23 ' HG3' ' A' ' 83' ' ' GLU . 4.3 p -52.48 -38.41 26.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.142 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.5 m -58.45 -50.67 72.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 6.7 mttt -60.3 -49.85 75.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.667 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -55.78 -25.41 40.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.874 HD11 ' HB3' ' A' ' 83' ' ' GLU . 40.1 mt -81.83 -29.66 32.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.19 -28.73 61.57 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.768 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -30.08 54.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 111.089 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -83.14 -34.38 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.266 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CZ ' ' HE3' ' A' ' 79' ' ' LYS . 21.2 m-85 -90.35 -25.96 20.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.005 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.11 18.38 36.99 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.636 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -106.94 175.16 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.789 0.328 . . . . 0.0 111.008 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -89.48 162.08 15.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.511 ' CZ ' HG23 ' A' ' 29' ' ' THR . 7.6 t80 -54.61 -49.59 70.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -25.32 68.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.999 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -62.6 -31.08 71.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.164 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.499 HD12 ' CZ ' ' A' ' 80' ' ' TYR . 30.1 mm -68.97 -67.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.191 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.8 ' CE2' HG11 ' A' ' 84' ' ' VAL . 6.7 m-30 -137.27 159.31 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.983 0.421 . . . . 0.0 111.002 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -100.23 165.38 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.8 m -48.45 -42.56 32.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.233 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.8 m -65.76 -34.93 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.619 HG21 ' CD1' ' A' ' 47' ' ' PHE . 89.4 m -69.7 -46.93 64.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.6 mt -57.37 -44.0 84.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.15 -32.54 71.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.783 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.911 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -67.26 -55.01 15.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.59 ' HG ' HD22 ' A' ' 66' ' ' LEU . 6.6 mp -52.79 -26.05 13.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.009 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.579 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -90.01 -58.37 2.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.469 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -40.09 -32.44 0.17 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.618 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.8 t -86.05 -42.21 14.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.809 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.2 OUTLIER 63.05 36.53 12.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.3 130.95 27.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.33 84.58 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.64 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.6 m-20 -125.42 148.7 62.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 3.2 Cg_exo -74.7 -52.65 0.11 Allowed 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.529 2.153 . . . . 0.0 112.134 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -65.38 -32.43 74.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.64 HG23 ' HB3' ' A' ' 62' ' ' ASP . 23.0 t -71.78 -48.05 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.015 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.804 ' HB2' HD21 ' A' ' 77' ' ' LEU . 35.5 mt -70.67 -17.86 62.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.326 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.768 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -75.67 -36.38 60.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 179.807 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -75.44 -3.38 33.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.728 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.911 HD12 ' HB3' ' A' ' 54' ' ' LYS . 31.7 mm -63.83 149.18 10.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -68.28 116.37 8.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.29 -30.6 10.03 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.609 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.442 ' CG2' HG23 ' A' ' 51' ' ' THR . 24.4 t -78.42 121.33 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 111.167 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.7 p -107.79 -177.63 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.767 ' HA ' HD21 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -63.34 -25.5 68.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -83.38 -27.37 29.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.219 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -74.71 -37.6 62.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.187 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -79.56 -21.45 45.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -91.58 -28.81 17.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.261 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.406 ' HE3' ' CZ ' ' A' ' 39' ' ' PHE . 19.4 ttpt -96.12 -58.34 2.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.461 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.649 ' CD1' HD13 ' A' ' 35' ' ' LEU . 14.6 m-85 -82.01 -27.57 33.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.304 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.83 -27.97 5.14 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.725 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.37 -28.25 66.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.774 0.321 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.874 ' HB3' HD11 ' A' ' 35' ' ' LEU . 2.5 tp10 -96.36 -61.92 1.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.272 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.8 HG11 ' CE2' ' A' ' 47' ' ' PHE . 3.3 m -48.19 -54.17 4.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.544 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.533 HD11 HD11 ' A' ' 77' ' ' LEU . 35.9 mt -57.88 -28.6 33.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.703 0.287 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -33.24 68.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.025 0.441 . . . . 0.0 110.177 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.515 HG11 ' HB3' ' A' ' 27' ' ' GLU . 14.5 t -90.62 -19.63 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.314 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.709 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -87.23 -14.0 42.25 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.159 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -55.36 -37.62 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.879 0.371 . . . . 0.0 110.965 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -62.62 -27.51 69.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.186 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.809 ' HB3' HD13 ' A' ' 59' ' ' LEU . 7.3 m-30 -71.0 -52.14 21.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.848 0.356 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.456 ' O ' HG22 ' A' ' 95' ' ' THR . 0.4 OUTLIER -52.95 -25.76 12.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -93.24 -27.96 16.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -102.29 13.37 34.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.454 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 92' ' ' SER . 5.6 t -84.26 -30.01 25.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.818 0.342 . . . . 0.0 111.095 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.7 p -101.55 107.73 52.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.51 -40.73 9.92 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.321 2.014 . . . . 0.0 112.272 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.55 -175.38 4.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.017 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -155.24 114.94 3.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -79.57 -169.72 2.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.8 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.957 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 pt -124.05 76.32 59.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.79 -39.57 77.0 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.578 2.185 . . . . 0.0 112.275 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 60.63 91.52 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -71.23 100.46 2.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.96 84.26 1.71 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -138.28 97.97 3.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -175.14 -50.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.764 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.26 122.7 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.631 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -146.88 128.43 15.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 12' ' ' ALA . 16.1 m -122.51 -46.17 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.223 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.463 ' N ' HG23 ' A' ' 11' ' ' VAL . . . 64.67 -79.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HG2' HG23 ' A' ' 14' ' ' VAL . 10.6 ttpt -141.37 149.2 40.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.46 HG23 ' HG2' ' A' ' 13' ' ' LYS . 21.5 t 60.82 155.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.192 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' HG12 ' A' ' 14' ' ' VAL . 73.4 m -72.15 131.14 42.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.945 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -29.02 35.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.63 -46.62 86.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.044 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -62.17 -35.1 77.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.14 -23.27 57.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.955 ' HB3' HD11 ' A' ' 59' ' ' LEU . 80.8 mmm -76.76 -50.37 13.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.065 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.672 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 21.9 m -57.03 -41.48 77.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.94 0.4 . . . . 0.0 110.802 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.43 ' N ' HG23 ' A' ' 21' ' ' VAL . 7.6 mmtp -64.38 -40.8 96.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.402 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -60.35 -28.56 68.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.664 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.1 t -69.01 -37.38 78.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.463 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -45.74 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.71 -43.49 23.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.824 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.484 ' HB3' HG11 ' A' ' 87' ' ' VAL . 2.6 mm-40 -59.05 -51.2 71.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 111.003 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' HA ' HG12 ' A' ' 31' ' ' VAL . 13.3 mt -59.5 -28.56 67.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.039 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.5 m -61.58 -40.1 93.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 110.639 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -65.53 -58.51 5.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.832 HG23 ' OE2' ' A' ' 83' ' ' GLU . 5.6 p -52.68 -33.24 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.961 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -62.92 -55.43 26.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.691 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -58.53 -46.74 86.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.7 t -56.63 -30.87 63.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.771 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.764 HD13 ' CD1' ' A' ' 80' ' ' TYR . 18.5 mt -77.44 -28.78 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.443 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -76.81 -48.48 8.66 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.592 -0.814 . . . . 0.0 112.658 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.667 ' HE2' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -56.31 -23.25 35.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.649 0.261 . . . . 0.0 111.177 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.667 HG13 ' HE2' ' A' ' 37' ' ' LYS . 25.3 m -92.0 -29.58 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.435 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.442 ' CE1' ' HE3' ' A' ' 79' ' ' LYS . 28.6 m-85 -103.6 13.79 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.477 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.8 33.44 55.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.068 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.443 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 24.3 m -124.68 138.15 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.934 0.397 . . . . 0.0 111.037 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -57.44 162.2 3.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.353 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -56.04 -50.17 71.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.865 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -58.87 -27.43 65.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.79 -29.2 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.447 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 24.5 mm -73.99 -67.35 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.685 ' CE2' HG11 ' A' ' 84' ' ' VAL . 11.1 m-30 -137.97 171.44 14.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.944 0.402 . . . . 0.0 111.043 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -114.08 165.36 12.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.4 m -52.18 -32.29 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.1 m -73.22 -27.76 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.287 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.619 HG21 ' CG ' ' A' ' 47' ' ' PHE . 54.3 m -73.0 -57.05 4.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 mt -53.02 -49.12 66.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -57.67 -33.54 68.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.872 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -70.07 -57.18 5.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.637 HD11 HD22 ' A' ' 66' ' ' LEU . 1.2 mp -59.33 -20.04 51.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.53 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.672 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -77.51 -56.04 4.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.705 0.288 . . . . 0.0 111.027 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.08 -43.54 82.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 m -61.43 -52.78 63.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.955 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER 65.61 36.42 6.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.2 m -133.1 137.12 46.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.5 p -93.03 84.92 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.571 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -125.21 156.39 69.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.853 179.788 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -88.48 -51.25 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.845 2.363 . . . . 0.0 112.666 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -69.35 -43.58 73.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.053 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.3 t -52.76 -26.07 9.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.014 0.435 . . . . 0.0 111.0 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.637 HD22 HD11 ' A' ' 55' ' ' LEU . 91.3 mt -84.69 -28.88 26.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.204 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.64 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -60.34 -36.82 78.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.678 179.81 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -74.19 -19.24 60.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.255 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.872 HD12 ' HB3' ' A' ' 54' ' ' LYS . 19.5 mm -63.74 135.1 28.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.27 128.68 37.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.987 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.85 -25.71 22.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.659 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.504 ' CG2' HG23 ' A' ' 51' ' ' THR . 10.8 t -88.82 115.58 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.063 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.76 -179.62 4.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.593 ' CG ' HD21 ' A' ' 67' ' ' LEU . 74.5 mt-10 -68.74 -29.64 68.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -77.74 -35.46 51.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -73.57 -31.74 63.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.973 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -81.03 -25.24 37.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.018 -179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -90.99 -22.34 20.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.238 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.442 ' HE3' ' CE1' ' A' ' 39' ' ' PHE . 3.5 tttt -96.43 -44.06 7.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.594 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.764 ' CD1' HD13 ' A' ' 35' ' ' LEU . 29.7 m-85 -98.58 -22.61 15.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.76 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -47.07 -27.58 3.64 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.988 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.15 -28.89 64.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.687 0.28 . . . . 0.0 111.299 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.832 ' OE2' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -96.4 -58.5 2.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.416 -179.765 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.685 HG11 ' CE2' ' A' ' 47' ' ' PHE . 9.2 m -48.67 -50.57 12.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.515 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.45 ' N ' HG23 ' A' ' 84' ' ' VAL . 14.8 mt -60.62 -32.41 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.734 0.302 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.7 t -55.17 -31.95 61.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.976 0.417 . . . . 0.0 110.515 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.484 HG11 ' HB3' ' A' ' 27' ' ' GLU . 8.9 t -90.48 -19.86 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.369 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -82.25 -25.95 33.63 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.859 -179.409 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -48.18 -36.31 13.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.96 0.41 . . . . 0.0 110.952 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -64.65 -32.6 74.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.807 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 1.4 m-30 -74.01 -32.9 63.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.587 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -35.25 74.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.765 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.55 -27.93 37.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -93.19 11.43 27.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.356 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.5 m -69.78 -44.91 69.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.77 0.319 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 m -125.35 147.08 56.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.73 153.36 53.83 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.474 2.116 . . . . 0.0 112.332 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 59.35 86.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -101.03 -43.91 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.2 t70 60.12 31.99 20.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.817 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.585 -0.206 . . . . 0.0 112.585 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mp -136.3 83.52 32.04 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 111.24 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.93 -168.0 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.63 2.22 . . . . 0.0 112.267 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.78 118.0 30.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.787 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -128.33 -60.24 1.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.63 110.54 6.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.775 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.83 114.94 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.57 151.81 48.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.812 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.48 160.8 35.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.517 ' O ' HG22 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -101.25 -41.14 6.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.968 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 10' ' ' LEU . 21.9 m 45.43 -171.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.578 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.39 134.99 50.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -141.66 31.07 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.79 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 m -76.03 131.46 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.192 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t 73.1 5.76 5.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.623 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -91.59 -34.08 14.86 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.849 0.357 . . . . 0.0 110.837 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -60.54 -50.18 74.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.991 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -34.81 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -76.56 -17.86 58.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.141 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.734 ' C ' HD21 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -83.31 -37.3 23.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.284 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.712 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 3.0 m -70.98 -35.69 60.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.906 0.384 . . . . 0.0 110.977 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -68.71 -56.23 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.744 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -57.56 -31.69 66.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.67 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 t -61.35 -43.95 98.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.505 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -58.6 -39.98 81.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.4 -40.37 48.43 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.672 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -62.11 -53.75 50.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 110.942 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.808 HD22 HG22 ' A' ' 84' ' ' VAL . 94.5 mt -58.88 -26.32 64.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.009 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.801 HG23 ' OH ' ' A' ' 43' ' ' TYR . 98.3 m -64.18 -36.86 85.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.86 0.362 . . . . 0.0 110.31 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -56.91 7.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.605 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.654 HG21 ' HA ' ' A' ' 84' ' ' VAL . 7.2 p -57.2 -29.64 32.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.968 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -65.94 -41.04 91.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.78 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -71.41 -45.74 61.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -55.61 -44.57 77.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.719 HD13 ' CD1' ' A' ' 80' ' ' TYR . 60.3 mt -60.57 -32.93 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.627 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.405 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -73.31 -20.9 80.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.565 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -86.25 -28.17 23.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.698 0.285 . . . . 0.0 111.056 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 36.0 m -90.71 -40.04 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.446 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.493 ' HE2' HD22 ' A' ' 35' ' ' LEU . 40.4 m-85 -83.21 -27.18 30.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.11 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.1 24.7 21.71 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.627 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.405 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 22.4 m -110.22 174.5 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 111.028 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -86.56 162.16 18.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.176 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.801 ' OH ' HG23 ' A' ' 29' ' ' THR . 6.2 t80 -55.54 -60.02 4.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -59.01 -21.09 58.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -42.21 81.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.06 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.471 HD12 ' CE1' ' A' ' 80' ' ' TYR . 34.0 mm -61.7 -67.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.113 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.552 ' HE2' HG21 ' A' ' 84' ' ' VAL . 21.2 m-85 -137.7 160.08 40.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.994 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.18 165.32 11.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.1 m -50.49 -43.71 55.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.07 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.9 m -65.88 -28.79 44.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.509 HG23 ' CG2' ' A' ' 72' ' ' VAL . 85.0 m -69.23 -58.24 4.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.228 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.84 -49.42 65.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.523 ' HA ' HD12 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -60.0 -36.7 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.975 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.874 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -65.74 -60.11 3.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.018 -179.815 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -52.93 -25.09 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.734 0.302 . . . . 0.0 111.201 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.712 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -81.19 -55.33 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.128 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -47.23 -29.25 2.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.048 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -84.88 -41.99 15.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.776 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.937 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.2 OUTLIER 64.57 44.32 4.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.635 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.31 142.49 37.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.6 p -97.99 85.07 3.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.524 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.2 m-20 -124.55 156.28 67.97 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -86.95 -47.8 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.77 2.313 . . . . 0.0 112.884 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -76.82 -36.13 57.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.817 0.341 . . . . 0.0 111.253 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.524 HG23 ' HB3' ' A' ' 62' ' ' ASP . 61.5 t -54.03 -23.78 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.365 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.003 HD13 HD21 ' A' ' 55' ' ' LEU . 1.5 mt -86.92 -32.97 19.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.91 0.386 . . . . 0.0 110.635 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.628 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -54.91 -38.79 68.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.966 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -72.07 -21.36 61.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.874 HD12 ' HB3' ' A' ' 54' ' ' LYS . 33.8 mm -63.84 147.45 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -70.3 125.19 26.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.08 -27.49 20.16 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.586 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.509 ' CG2' HG23 ' A' ' 51' ' ' THR . 14.4 t -81.37 152.57 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.5 p -144.04 -178.81 6.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.91 -29.31 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -80.44 -32.86 37.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.054 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -68.68 -43.0 77.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.957 HD21 HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -73.56 -15.12 61.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.266 179.79 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -91.37 -41.27 10.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.786 0.327 . . . . 0.0 111.15 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -81.59 -52.6 7.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.245 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.904 ' O ' HG12 ' A' ' 84' ' ' VAL . 26.9 m-85 -97.76 30.17 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.069 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -91.37 -10.81 61.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.978 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.25 -24.35 15.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.705 ' CG ' HD21 ' A' ' 35' ' ' LEU . 1.2 mm-40 -96.28 -70.3 0.72 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.904 HG12 ' O ' ' A' ' 80' ' ' TYR . 9.6 p -55.02 -32.65 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.658 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.9 mm -69.03 -36.63 74.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.815 0.34 . . . . 0.0 110.275 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.3 p -56.72 -31.6 64.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.084 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.7 t -78.55 -23.05 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.784 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.609 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.4 OUTLIER -80.85 -25.5 37.65 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.367 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -51.99 -25.55 8.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 111.193 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -81.24 -26.95 35.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.295 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.937 ' HB3' HD13 ' A' ' 59' ' ' LEU . 3.5 m-30 -72.5 -30.39 64.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.08 -29.55 19.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -81.39 -30.57 33.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.101 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 10.0 m0 -76.59 -35.18 58.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.082 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.4 t -66.98 -28.99 68.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.063 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.13 108.17 16.15 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.35 -167.39 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.463 2.109 . . . . 0.0 112.273 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 63.69 125.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.52 172.93 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -176.49 162.67 2.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 64.4 m . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.871 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.612 -0.195 . . . . 0.0 112.612 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 2' ' ' ILE . 0.9 OUTLIER -124.8 87.88 54.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.994 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.48 100.39 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.503 2.135 . . . . 0.0 112.37 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -95.05 162.48 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -106.97 30.77 5.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -135.73 175.5 9.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -159.6 89.89 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' HD3' ' HB1' ' A' ' 98' ' ' ALA . 4.1 tttp -139.05 -65.52 0.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.97 174.77 13.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -169.24 136.51 1.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.3 p -116.12 130.67 70.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.55 91.95 3.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -131.1 -50.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.21 145.17 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 m -70.78 83.25 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -31.34 45.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 mtt-85 -63.73 -29.25 70.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -60.34 -59.88 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -22.93 67.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -61.85 2.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.273 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.813 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 11.1 m -55.55 -39.78 55.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 111.344 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -62.91 -46.51 87.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.63 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -29.11 68.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.769 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.477 ' HB2' HD21 ' A' ' 59' ' ' LEU . 36.6 t -66.53 -40.09 88.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -61.53 -37.74 84.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.779 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.09 -45.9 11.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.562 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.682 ' HB3' HG11 ' A' ' 87' ' ' VAL . 2.6 mm-40 -60.25 -51.07 71.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 111.04 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 28' ' ' LEU . 15.0 mt -58.94 -28.0 65.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.184 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.639 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 87.6 m -63.91 -37.84 88.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.374 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -58.38 6.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.828 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.637 HG23 ' CG ' ' A' ' 83' ' ' GLU . 2.5 p -57.55 -32.55 42.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -60.26 -45.29 93.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.709 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 9.8 mttt -67.6 -44.23 78.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.766 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.1 m -56.56 -34.06 66.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.784 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.869 HD11 ' HB3' ' A' ' 83' ' ' GLU . 86.0 mt -77.99 -29.91 49.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.628 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -76.15 -26.81 63.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.821 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -76.77 -24.79 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.74 0.305 . . . . 0.0 111.123 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.1 m -92.07 -30.72 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.509 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.453 ' CE1' ' HE2' ' A' ' 79' ' ' LYS . 25.1 m-85 -95.07 17.64 13.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.391 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.37 44.33 44.7 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.087 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.628 HG23 ' HA2' ' A' ' 36' ' ' GLY . 5.9 m -134.68 172.2 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.656 0.265 . . . . 0.0 111.071 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.53 162.09 14.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.032 0.444 . . . . 0.0 111.35 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.639 ' CZ ' HG23 ' A' ' 29' ' ' THR . 12.9 t80 -56.99 -22.92 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.002 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -91.45 15.08 13.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.334 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -104.71 -30.78 9.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.856 0.36 . . . . 0.0 110.734 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.457 HD12 ' CE1' ' A' ' 80' ' ' TYR . 29.3 mm -69.8 -67.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.713 ' CE2' HG11 ' A' ' 84' ' ' VAL . 13.8 m-30 -133.88 158.68 42.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.787 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -95.32 165.34 12.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.962 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.8 m -52.12 -46.25 65.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.996 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.5 p -71.81 -26.18 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 m -69.83 -49.24 54.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.076 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.5 mt -58.35 -51.38 70.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.055 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.404 ' HA ' HD12 ' A' ' 25' ' ' LEU . 12.6 ptpt -55.37 -30.88 61.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.657 ' HB3' HD12 ' A' ' 69' ' ' ILE . 1.4 mptt -62.61 -55.95 22.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.595 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.608 HD21 ' CD1' ' A' ' 66' ' ' LEU . 1.8 mp -59.13 -23.03 61.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.382 179.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.813 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -83.66 -49.62 8.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 111.069 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.62 -34.13 64.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.937 0.399 . . . . 0.0 110.659 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -84.69 -48.38 9.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.466 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.869 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.1 OUTLIER 63.54 50.45 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.086 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.8 m -139.29 125.69 20.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.764 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.407 ' HB3' ' CB ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -86.11 84.22 7.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.088 -179.799 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.607 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 11.9 m-20 -126.2 147.65 60.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.728 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 4.7 Cg_exo -79.07 -40.18 0.29 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.76 2.307 . . . . 0.0 112.418 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.04 -37.15 39.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.324 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.516 HG23 ' HB3' ' A' ' 62' ' ' ASP . 59.4 t -57.1 -38.63 61.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.211 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.815 HD12 HD21 ' A' ' 77' ' ' LEU . 15.2 mt -71.8 -31.88 67.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.612 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -58.14 -36.75 73.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -76.14 -19.61 58.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.381 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.657 HD12 ' HB3' ' A' ' 54' ' ' LYS . 22.0 mm -63.69 139.71 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 111.021 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -67.37 122.42 17.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.53 -28.97 11.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.453 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -85.02 133.19 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p -123.49 -178.07 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -42.14 98.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -66.91 -43.08 84.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.442 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 9.2 mmtm -59.81 -52.98 63.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.815 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -68.74 -12.16 61.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.791 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -81.04 -61.86 1.83 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.675 0.274 . . . . 0.0 111.62 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.453 ' HE2' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -80.92 -41.72 22.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.956 -179.041 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.643 ' O ' HG22 ' A' ' 84' ' ' VAL . 15.8 m-85 -80.94 -28.22 35.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.623 0.249 . . . . 0.0 111.402 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.61 -27.07 5.77 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.814 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.41 -24.05 50.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.713 0.292 . . . . 0.0 111.261 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.869 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -96.2 -61.7 1.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.196 -179.703 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.723 ' O ' HD12 ' A' ' 88' ' ' LEU . 3.2 m -49.8 -54.52 7.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.34 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.491 ' H ' HG23 ' A' ' 84' ' ' VAL . 27.3 mt -59.45 -25.68 31.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.07 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.9 t -60.74 -33.11 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.988 0.423 . . . . 0.0 110.312 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.682 HG11 ' HB3' ' A' ' 27' ' ' GLU . 12.3 t -90.76 -19.77 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.467 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.757 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -87.41 -17.8 31.45 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.27 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.54 -25.55 17.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 0.0 111.247 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -75.86 -29.01 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.164 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.869 ' HB3' HD13 ' A' ' 59' ' ' LEU . 4.9 m-30 -69.73 -51.95 29.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.188 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.2 t -62.69 -23.77 67.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.267 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -87.89 -20.01 26.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.418 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -110.66 -9.65 14.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.639 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.7 t -66.8 -32.7 74.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.766 0.317 . . . . 0.0 111.021 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 m -85.69 123.77 72.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.47 -33.09 11.35 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.327 2.018 . . . . 0.0 112.409 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.419 ' HB1' ' HD3' ' A' ' 8' ' ' LYS . . . -74.93 -30.31 61.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -62.67 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.18 104.17 12.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.2 t . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.861 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.606 -0.198 . . . . 0.0 112.606 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 2' ' ' ILE . 0.5 OUTLIER -159.3 91.58 1.9 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 111.119 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.13 -23.23 21.7 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.705 2.27 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.56 -32.14 49.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.135 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -140.33 124.84 17.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -90.93 167.39 12.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -151.51 135.81 16.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.652 ' H ' ' HB2' ' A' ' 98' ' ' ALA . 4.6 tttp 59.79 -170.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.56 138.11 47.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.2 mt -102.33 -50.68 3.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 t -68.67 144.48 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.999 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 60.71 80.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.22 89.49 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 15' ' ' SER . 29.7 t -129.44 155.02 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.432 ' N ' HG12 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -66.9 76.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.754 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -81.12 -22.41 39.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.097 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.614 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -68.77 -29.08 67.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.051 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -34.79 60.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.939 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.21 -30.27 34.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.454 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -67.24 -44.21 80.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.977 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.646 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 14.7 m -67.38 -45.07 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.179 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.474 ' N ' HG23 ' A' ' 21' ' ' VAL . 9.5 mmtp -60.61 -41.32 94.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -57.75 -31.12 66.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.505 ' HB2' HD21 ' A' ' 59' ' ' LEU . 19.1 t -69.44 -33.94 73.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.16 -41.44 98.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.848 0.356 . . . . 0.0 110.602 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.76 -44.45 10.37 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.641 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.489 ' HB3' HG11 ' A' ' 87' ' ' VAL . 6.1 mm-40 -59.04 -49.33 78.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.93 0.395 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.464 ' HA ' HG12 ' A' ' 31' ' ' VAL . 13.3 mt -60.94 -30.03 69.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.65 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 91.9 m -61.22 -32.47 72.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.355 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.11 -59.37 2.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 28' ' ' LEU . 5.6 p -53.16 -38.49 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.7 m -60.62 -43.72 97.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.711 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -58.67 -54.29 48.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -56.75 -31.31 64.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.794 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.713 HD13 ' CD1' ' A' ' 80' ' ' TYR . 26.9 mt -71.85 -21.47 61.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.037 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.667 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -81.61 -37.19 17.68 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.666 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -73.87 -27.19 60.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.703 0.287 . . . . 0.0 111.016 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.468 HG23 ' CD2' ' A' ' 39' ' ' PHE . 27.9 m -85.46 -28.85 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.534 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.468 ' CD2' HG23 ' A' ' 38' ' ' VAL . 44.6 m-85 -107.93 17.53 22.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.486 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 49.88 41.31 36.18 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.053 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.667 HG23 ' HA2' ' A' ' 36' ' ' GLY . 7.0 m -132.16 155.83 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.076 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.16 162.22 28.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.305 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.65 ' CZ ' HG23 ' A' ' 29' ' ' THR . 12.3 t80 -56.53 -48.0 78.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.789 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -18.72 65.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.255 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -72.33 -30.35 64.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.269 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.4 HD12 ' CE1' ' A' ' 80' ' ' TYR . 30.2 mm -67.0 -67.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.146 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.721 ' CE2' HG11 ' A' ' 84' ' ' VAL . 8.9 m-30 -138.24 150.09 46.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.994 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -92.13 165.36 13.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -51.37 -37.57 48.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.089 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.1 m -67.12 -26.64 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.277 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.689 HG21 ' CG ' ' A' ' 47' ' ' PHE . 77.0 m -74.33 -55.92 5.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.6 mt -56.27 -47.49 78.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.238 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -57.47 -35.01 69.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.768 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.536 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -67.62 -59.25 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.651 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.703 HD11 HD22 ' A' ' 66' ' ' LEU . 1.6 mp -58.53 -20.43 46.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.556 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.646 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -78.89 -50.97 10.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.345 . . . . 0.0 111.15 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.52 -47.51 73.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.077 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.2 p -71.37 -49.38 42.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.0 OUTLIER 64.61 50.94 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -139.18 146.1 40.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.704 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.66 84.81 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.548 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 4.4 m-20 -125.37 156.83 69.59 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -87.24 -59.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.956 2.437 . . . . 0.0 112.252 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -61.12 -47.09 87.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.1 t -52.5 -26.69 10.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.012 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.703 HD22 HD11 ' A' ' 55' ' ' LEU . 79.5 mt -87.43 -17.83 31.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.536 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.653 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -71.78 -37.31 70.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.45 -9.24 58.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.636 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.536 HD12 ' HB3' ' A' ' 54' ' ' LYS . 27.8 mm -68.06 152.3 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.854 0.359 . . . . 0.0 111.156 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -71.79 121.75 19.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.57 -34.75 4.67 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.651 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.579 ' CG2' HG23 ' A' ' 51' ' ' THR . 21.5 t -78.3 123.51 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.335 . . . . 0.0 111.248 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 p -121.0 -178.56 3.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.744 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.93 -45.15 91.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -63.17 -33.25 75.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -74.74 -35.58 62.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.579 HD21 ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -82.25 -18.74 41.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.245 -179.831 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -91.47 -28.64 17.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.46 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 8.7 ttpt -96.52 -57.91 2.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.259 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.713 ' CD1' HD13 ' A' ' 35' ' ' LEU . 27.6 m-85 -82.83 -28.02 30.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.459 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -44.89 -42.02 7.65 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 121.072 -0.585 . . . . 0.0 113.168 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.03 -27.09 66.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.719 0.295 . . . . 0.0 111.384 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.616 ' HG3' HD21 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -96.2 -62.2 1.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.443 -179.607 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.721 HG11 ' CE2' ' A' ' 47' ' ' PHE . 3.5 m -46.8 -52.05 4.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.426 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.486 HD11 HD11 ' A' ' 77' ' ' LEU . 31.5 mt -59.92 -27.65 39.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.841 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 t -58.47 -31.26 67.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 110.394 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.489 HG11 ' HB3' ' A' ' 27' ' ' GLU . 21.8 t -90.55 -19.6 7.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.356 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.764 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -86.53 -20.83 27.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.819 -179.39 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -49.78 -33.24 15.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.934 0.397 . . . . 0.0 111.11 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -65.69 -42.85 90.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.764 ' HD2' HD23 ' A' ' 88' ' ' LEU . 1.9 m-30 -58.9 -46.0 88.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.814 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.5 t -58.98 -21.28 58.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -97.3 -16.61 20.23 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.367 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -111.55 -5.08 14.58 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 t -66.78 -24.56 66.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.66 0.267 . . . . 0.0 111.214 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -83.81 129.69 58.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.771 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.85 -29.18 15.74 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.456 2.104 . . . . 0.0 112.329 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.652 ' HB2' ' H ' ' A' ' 8' ' ' LYS . . . -92.02 104.31 16.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -73.85 151.07 40.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.74 139.27 43.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.83 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.485 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 2.1 mp -75.9 -48.05 3.7 Favored Pre-proline 0 C--N 1.33 -0.241 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 2' ' ' ILE . 84.9 Cg_endo -78.41 153.95 27.65 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.343 2.029 . . . . 0.0 112.329 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.78 -40.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -63.13 86.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -150.72 -177.89 6.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.67 95.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -60.06 -70.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.972 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.7 91.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 64.37 -76.48 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.406 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 11.9 t 72.28 -62.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 11' ' ' VAL . . . 67.28 163.55 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.05 -41.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.605 ' O ' HG13 ' A' ' 14' ' ' VAL . 7.8 p -160.88 74.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.27 60.8 3.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -67.38 -58.16 5.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.575 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -61.48 -29.96 70.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -70.49 -41.53 72.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.854 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.58 -24.64 56.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.894 ' HB3' HD11 ' A' ' 59' ' ' LEU . 61.2 mmm -72.04 -46.29 57.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.168 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 17' ' ' ARG . 13.8 m -64.01 -35.9 75.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 111.056 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -63.35 -46.02 88.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.7 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -58.53 -28.94 65.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.945 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.433 ' HG ' ' HE2' ' A' ' 91' ' ' TYR . 22.4 t -66.29 -41.6 89.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.723 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.02 -40.08 88.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.94 -50.75 7.51 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.716 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.518 ' HB3' HG11 ' A' ' 87' ' ' VAL . 5.0 mt-10 -56.24 -49.14 75.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 111.178 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.442 ' HA ' HG12 ' A' ' 31' ' ' VAL . 15.9 mt -59.94 -28.16 67.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.822 HG23 ' OH ' ' A' ' 43' ' ' TYR . 88.9 m -62.21 -41.79 98.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.388 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.83 -58.54 7.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.704 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.854 HG23 ' OE1' ' A' ' 83' ' ' GLU . 5.7 p -54.92 -35.35 33.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.992 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.0 m -60.19 -52.61 64.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.62 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -58.39 -51.21 70.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.51 -30.92 61.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.747 HD13 ' CD1' ' A' ' 80' ' ' TYR . 17.3 mt -71.94 -28.37 63.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -78.65 -22.98 65.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.725 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -77.96 -39.64 41.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.733 0.301 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.8 m -76.55 -31.71 20.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.401 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.401 ' CZ ' ' HB2' ' A' ' 79' ' ' LYS . 22.6 m-85 -93.33 -27.26 16.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.034 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.22 15.83 49.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.781 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.413 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 31.1 m -101.39 168.19 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.64 162.08 23.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.11 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.822 ' OH ' HG23 ' A' ' 29' ' ' THR . 7.3 t80 -54.69 -53.69 51.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.863 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.05 -26.17 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -58.21 -32.94 68.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.975 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.472 HD12 ' CE1' ' A' ' 80' ' ' TYR . 32.9 mm -68.4 -67.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.852 ' CE1' HG22 ' A' ' 72' ' ' VAL . 10.8 m-30 -138.42 140.21 39.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.43 165.3 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.6 m -53.32 -41.7 65.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.7 p -72.78 -29.63 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.488 ' CG2' HG23 ' A' ' 72' ' ' VAL . 12.6 m -68.41 -48.42 64.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.217 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.31 -51.16 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.057 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -55.53 -29.31 58.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.921 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -64.23 -57.24 10.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.667 179.7 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.711 HD21 HD13 ' A' ' 66' ' ' LEU . 1.3 mp -58.24 -22.2 51.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.436 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.547 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -75.53 -58.05 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.977 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.77 -36.21 67.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 m -67.61 -53.17 30.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.834 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.894 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER 66.56 37.71 4.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.297 179.753 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.4 p -139.14 137.5 36.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.757 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.76 84.22 2.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 111.078 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.646 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -125.82 156.07 71.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.559 179.493 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.62 -45.63 0.12 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.592 2.194 . . . . 0.0 111.944 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.97 -50.42 55.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.896 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.646 HG23 ' HB3' ' A' ' 62' ' ' ASP . 40.2 t -46.39 -48.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.737 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.764 HD12 HD21 ' A' ' 77' ' ' LEU . 12.1 mt -69.44 -27.34 65.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.154 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.595 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -59.85 -37.53 79.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 110.753 179.803 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -72.73 -22.06 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.278 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.921 HD12 ' HB3' ' A' ' 54' ' ' LYS . 19.5 mm -63.91 134.26 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.16 131.14 50.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.04 -35.1 4.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.852 HG22 ' CE1' ' A' ' 47' ' ' PHE . 23.6 t -84.58 114.66 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.339 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.8 p -108.83 -178.15 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.24 -28.41 69.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -79.67 -45.58 18.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.019 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -57.95 -40.66 81.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.764 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -77.37 -11.84 59.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.277 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -86.46 -38.8 16.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.705 0.288 . . . . 0.0 111.408 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.403 ' HE2' ' CE1' ' A' ' 80' ' ' TYR . 7.9 ptmt -96.12 -48.69 5.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.577 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.831 ' O ' HG22 ' A' ' 84' ' ' VAL . 24.6 m-85 -80.21 -28.17 38.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 111.28 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.418 ' HA3' HD13 ' A' ' 77' ' ' LEU . . . -46.82 -46.76 19.19 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.001 -0.618 . . . . 0.0 113.036 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.72 -25.05 62.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.712 0.291 . . . . 0.0 111.289 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.854 ' OE1' HG23 ' A' ' 31' ' ' VAL . 2.4 mm-40 -96.25 -61.34 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.226 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.831 HG22 ' O ' ' A' ' 80' ' ' TYR . 0.4 OUTLIER -49.24 -55.83 3.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.759 0.314 . . . . 0.0 111.522 -179.758 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.566 HD11 HD11 ' A' ' 77' ' ' LEU . 26.4 mt -58.22 -27.49 32.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.245 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -33.95 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.026 0.441 . . . . 0.0 110.401 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.518 HG11 ' HB3' ' A' ' 27' ' ' GLU . 12.1 t -90.7 -19.91 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.476 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.774 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -85.35 -20.23 30.25 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.217 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.2 -33.07 18.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.033 0.444 . . . . 0.0 110.701 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -44.34 91.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.776 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.774 ' HD2' HD23 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -62.4 -37.57 86.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.43 179.741 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -57.14 -30.0 64.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.786 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.41 -24.58 34.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -86.02 -37.11 19.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.109 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 91' ' ' TYR . 1.5 t -68.09 -26.21 65.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.146 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.0 m -83.82 139.37 40.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.966 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.79 141.95 25.01 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.585 2.19 . . . . 0.0 112.44 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 58.06 63.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.0 -55.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.804 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -74.24 149.28 40.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.1 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.891 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.487 ' H ' HD12 ' A' ' 2' ' ' ILE . 2.5 mp -81.78 -45.58 1.06 Allowed Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 111.459 0.17 . . . . 0.0 111.459 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 2' ' ' ILE . 51.9 Cg_exo -54.3 138.37 72.58 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.312 2.008 . . . . 0.0 112.324 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -151.76 135.17 16.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.36 -35.11 75.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.1 176.82 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -129.97 178.8 6.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -100.17 105.91 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.07 -31.65 71.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tt -116.19 127.06 54.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.1 m -105.72 173.73 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.188 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.71 177.71 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -137.65 30.45 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.989 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.8 t -152.53 153.68 8.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.09 86.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -72.73 -36.26 67.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.736 ' O ' HG13 ' A' ' 21' ' ' VAL . 1.8 ptp85 -70.33 -31.91 69.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -80.98 -28.66 35.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.46 -40.03 27.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.957 ' HB3' HD11 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -63.77 -46.22 86.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.754 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 16.5 m -61.0 -44.65 98.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.898 0.38 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.488 ' N ' HG23 ' A' ' 21' ' ' VAL . 31.9 mmtm -61.58 -41.15 97.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.558 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -30.01 68.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.736 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 t -67.87 -37.59 82.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.502 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.51 -43.92 96.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.24 -42.0 24.78 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.839 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.535 ' HB3' HG11 ' A' ' 87' ' ' VAL . 1.1 mm-40 -60.77 -52.7 63.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.863 0.363 . . . . 0.0 110.977 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.501 HD22 HG12 ' A' ' 84' ' ' VAL . 16.1 mt -58.04 -29.35 65.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.953 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.711 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 88.9 m -60.8 -43.21 98.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.524 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.22 -58.88 6.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.635 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.531 HG23 ' HG3' ' A' ' 83' ' ' GLU . 4.4 p -53.21 -36.66 26.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.048 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.1 m -58.36 -53.33 59.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.732 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HE2' ' CD2' ' A' ' 43' ' ' TYR . 19.4 mttt -62.41 -44.02 97.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.754 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -25.24 56.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.986 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.892 HD11 ' HB3' ' A' ' 83' ' ' GLU . 52.6 mt -86.28 -28.85 23.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.431 ' HA2' HG22 ' A' ' 41' ' ' VAL . . . -79.4 -28.22 53.08 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.674 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HD2' HG13 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -74.07 -27.99 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.059 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.418 HG13 ' HD2' ' A' ' 37' ' ' LYS . 11.0 m -86.55 -35.3 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.259 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -90.61 -26.21 19.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.09 24.37 19.84 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.714 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.431 HG22 ' HA2' ' A' ' 36' ' ' GLY . 31.3 m -111.58 144.17 19.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.773 0.32 . . . . 0.0 110.982 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -59.45 160.15 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.056 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.711 ' CZ ' HG23 ' A' ' 29' ' ' THR . 5.2 t80 -57.08 -45.34 83.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.773 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.28 -26.8 68.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -58.51 -33.86 70.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.472 HD12 ' CE1' ' A' ' 80' ' ' TYR . 31.9 mm -68.9 -67.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.133 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.719 ' CE2' HG11 ' A' ' 84' ' ' VAL . 8.7 m-30 -138.53 172.71 12.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.413 ' HB3' HG22 ' A' ' 50' ' ' VAL . 1.4 m-20 -116.71 165.27 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.766 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.459 ' HA ' HD12 ' A' ' 52' ' ' LEU . 9.4 m -52.25 -29.64 23.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' A' ' 48' ' ' ASN . 6.4 m -74.56 -29.82 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.228 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.537 HG21 ' CG ' ' A' ' 47' ' ' PHE . 99.5 m -74.25 -50.87 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 49' ' ' THR . 2.2 mt -57.15 -47.33 81.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -59.37 -36.76 76.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.765 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.565 ' HG2' HG23 ' A' ' 69' ' ' ILE . 5.1 tptp -67.19 -57.24 7.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.68 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.595 HD21 ' CD1' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -59.4 -20.33 54.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.392 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.754 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -78.9 -53.88 6.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.707 0.289 . . . . 0.0 110.989 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.14 -40.69 86.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.625 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.3 t -63.94 -51.01 66.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.751 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.957 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER 65.98 41.77 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.771 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -139.25 148.15 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.73 84.79 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.852 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.588 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -125.13 156.97 68.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.637 179.706 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -86.99 -49.2 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.533 2.155 . . . . 0.0 112.867 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -35.18 69.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.588 HG23 ' HB3' ' A' ' 62' ' ' ASP . 39.1 t -59.82 -31.31 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.769 HD12 HD21 ' A' ' 77' ' ' LEU . 41.3 mt -83.69 -19.52 35.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.364 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.648 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -68.3 -36.28 79.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.896 0.379 . . . . 0.0 110.605 179.69 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -78.57 -15.73 58.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.597 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.565 HG23 ' HG2' ' A' ' 54' ' ' LYS . 22.9 mm -63.69 154.01 6.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.875 0.369 . . . . 0.0 111.063 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.419 ' N ' HG22 ' A' ' 69' ' ' ILE . 1.8 t70 -74.41 132.74 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.32 -3.17 82.66 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.899 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.507 ' CG2' HG23 ' A' ' 51' ' ' THR . 14.7 t -104.09 142.74 17.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.8 0.333 . . . . 0.0 111.032 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -137.48 178.74 6.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.402 ' CG ' HD21 ' A' ' 67' ' ' LEU . 7.5 mt-10 -63.88 -44.34 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -59.6 -42.65 93.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -65.12 -38.95 92.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.769 HD21 HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -81.43 -12.62 58.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.377 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -91.13 -36.78 13.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.752 0.311 . . . . 0.0 110.936 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.33 -58.14 2.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.683 ' O ' HG22 ' A' ' 84' ' ' VAL . 16.7 m-85 -76.84 -24.96 52.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.282 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.4 -48.33 21.63 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.802 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.65 -22.17 44.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.692 0.282 . . . . 0.0 111.343 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.892 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.13 -62.6 1.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.138 -179.803 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.719 HG11 ' CE2' ' A' ' 47' ' ' PHE . 1.3 m -48.35 -55.51 2.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.422 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.598 HD11 HD11 ' A' ' 77' ' ' LEU . 13.1 mt -57.56 -28.1 30.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.178 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.75 -32.74 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.113 0.483 . . . . 0.0 110.376 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.535 HG11 ' HB3' ' A' ' 27' ' ' GLU . 14.9 t -90.46 -19.66 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.308 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.787 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -86.89 -18.22 31.37 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.28 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -50.87 -36.85 40.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.789 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -62.33 -45.86 91.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.787 ' HD2' HD23 ' A' ' 88' ' ' LEU . 1.4 m-30 -57.21 -42.34 81.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.765 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.5 t -55.73 -30.97 62.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.79 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -28.05 56.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.778 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -94.93 -5.66 44.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.459 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.9 m -72.49 -45.43 59.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.9 151.94 61.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.26 179.39 1.56 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.474 2.116 . . . . 0.0 112.326 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 60.97 178.55 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -122.09 -47.5 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -160.74 158.45 28.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.934 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.6 pt -129.4 157.11 77.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.734 0.302 . . . . 0.0 111.164 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.23 123.91 13.71 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.656 2.237 . . . . 0.0 112.282 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -140.15 64.53 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -138.67 99.37 3.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 156.73 44.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -160.04 93.1 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -73.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.2 37.16 23.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.36 33.06 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.7 m -109.17 30.95 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.03 -177.88 6.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.35 163.45 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.0 p -59.65 138.68 20.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m 59.87 31.15 20.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -67.97 -36.47 80.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.706 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -68.42 -29.97 68.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.049 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.607 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -59.6 -65.1 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.032 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -59.27 -20.57 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.438 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -71.68 -42.54 67.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.237 -179.769 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.758 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 2.9 m -67.8 -31.71 53.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.371 . . . . 0.0 111.412 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -68.43 -46.37 70.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.722 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -57.97 -26.77 62.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.562 ' HB2' HD21 ' A' ' 59' ' ' LEU . 42.5 t -72.88 -36.27 67.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.034 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.9 -42.19 98.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.898 0.38 . . . . 0.0 110.68 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.0 -40.93 15.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.706 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.466 ' HB3' HG11 ' A' ' 87' ' ' VAL . 37.8 mt-10 -62.22 -54.23 43.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.881 0.372 . . . . 0.0 111.011 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.452 ' HA ' HG12 ' A' ' 31' ' ' VAL . 13.5 mt -58.44 -29.34 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.067 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.614 HG23 ' OH ' ' A' ' 43' ' ' TYR . 42.8 m -61.71 -37.34 83.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.415 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -66.37 -57.63 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.779 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.751 HG23 ' OE1' ' A' ' 83' ' ' GLU . 6.7 p -55.31 -33.4 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.035 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -58.38 -59.02 6.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.76 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -56.7 -48.4 77.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.28 -28.76 55.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.751 HD21 ' HG3' ' A' ' 83' ' ' GLU . 15.6 mt -79.22 -29.38 42.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.77 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.418 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -75.31 -25.3 68.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.557 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -29.77 46.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 111.008 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 m -86.01 -33.35 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.305 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 79' ' ' LYS . 21.7 m-85 -88.65 -27.03 21.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.08 27.37 12.39 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.583 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.418 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 12.3 m -116.93 175.06 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.968 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -89.63 162.19 15.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.091 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.614 ' OH ' HG23 ' A' ' 29' ' ' THR . 8.4 t80 -53.83 -49.06 69.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.836 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.45 -26.67 68.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.51 -31.49 71.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.04 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.42 HD12 ' CE1' ' A' ' 80' ' ' TYR . 28.3 mm -66.51 -67.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.056 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.713 ' HE2' HG11 ' A' ' 84' ' ' VAL . 8.7 m-30 -138.36 170.34 16.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -110.67 165.42 11.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.813 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.5 m -53.79 -29.3 39.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.0 m -75.69 -30.29 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.228 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.527 HG21 ' CG ' ' A' ' 47' ' ' PHE . 98.2 m -71.23 -54.58 10.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.4 mt -54.65 -51.2 66.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -58.9 -27.93 65.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.05 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.804 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -76.22 -60.18 2.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.982 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.767 HD21 HD22 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -55.35 -23.51 24.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.365 179.658 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.758 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -81.19 -46.4 14.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.29 -32.95 62.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.3 m -86.35 -48.15 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.747 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.1 OUTLIER 64.32 50.29 2.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.005 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.06 124.64 19.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.635 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.42 84.45 3.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.997 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.532 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.9 m-20 -125.69 151.58 70.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.63 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -86.96 -46.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.926 2.417 . . . . 0.0 112.838 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -37.01 51.31 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.2 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.532 HG23 ' HB3' ' A' ' 62' ' ' ASP . 62.1 t -52.57 -26.03 9.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.983 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.967 HD12 HD21 ' A' ' 77' ' ' LEU . 2.8 mt -83.53 -35.29 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.548 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.95 -40.06 56.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -71.98 -23.44 61.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.894 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.804 HD12 ' HB3' ' A' ' 54' ' ' LYS . 32.7 mm -63.97 147.97 11.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.05 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.69 129.3 38.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.29 -35.03 4.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.571 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.518 ' CG2' HG23 ' A' ' 51' ' ' THR . 19.6 t -81.02 129.63 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 111.162 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.96 -176.3 3.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -28.4 66.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -81.45 -47.18 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.051 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -57.76 -32.47 67.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.967 HD21 HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -85.2 -13.62 49.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.369 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -30.96 17.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 15.8 ptmt -96.67 -39.67 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.52 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.797 ' O ' HG22 ' A' ' 84' ' ' VAL . 29.5 m-85 -95.99 -27.88 14.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.748 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.412 ' HA3' HD13 ' A' ' 77' ' ' LEU . . . -46.86 -28.19 3.7 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.177 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.76 -27.39 60.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.758 0.313 . . . . 0.0 111.232 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.751 ' HG3' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.22 -57.08 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.797 HG22 ' O ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -47.62 -58.09 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.803 0.335 . . . . 0.0 111.09 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.444 ' H ' HG23 ' A' ' 84' ' ' VAL . 29.5 mt -55.46 -25.03 16.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.7 t -61.2 -33.63 73.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.012 0.434 . . . . 0.0 110.31 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 27' ' ' GLU . 13.3 t -90.53 -19.8 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.322 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.708 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -85.75 -19.16 31.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.859 -179.436 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -51.12 -29.45 13.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.825 0.345 . . . . 0.0 111.236 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -71.1 -32.78 69.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.708 ' HD2' HD23 ' A' ' 88' ' ' LEU . 4.5 m-30 -66.29 -53.08 40.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.057 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 m -56.26 -28.05 57.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.03 -28.4 62.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.049 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -104.14 -12.85 16.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.44 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.1 m -66.76 -25.67 66.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.673 0.273 . . . . 0.0 111.059 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.9 p -94.13 107.68 30.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.48 57.41 6.47 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.546 2.164 . . . . 0.0 112.451 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -172.79 -62.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.97 81.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -136.62 -66.83 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.883 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 112.413 -0.275 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mt 64.07 78.47 0.28 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.714 0.292 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.93 137.29 31.74 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.464 2.109 . . . . 0.0 112.311 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -167.05 112.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -137.37 -47.38 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.78 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.22 99.99 7.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.15 -30.57 7.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.49 105.47 15.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.79 175.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 mp -136.3 -57.69 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.977 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.7 m -105.96 135.43 44.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.49 38.92 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -133.23 155.44 49.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.1 p -107.6 -34.41 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.9 p -58.04 -28.94 64.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.32 -22.67 43.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.425 ' O ' HG13 ' A' ' 21' ' ' VAL . 7.7 tmm_? -61.26 -32.02 71.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.146 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -66.57 -41.81 88.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -78.84 -23.56 44.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.45 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -71.58 -43.72 65.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.147 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.718 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 21.0 m -68.93 -45.03 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.896 0.379 . . . . 0.0 111.303 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.491 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -60.38 -43.74 96.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.754 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -56.62 -31.08 63.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.903 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.526 ' HB2' HD21 ' A' ' 59' ' ' LEU . 12.7 t -68.51 -34.05 75.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.702 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -39.86 93.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.433 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.65 -44.42 10.62 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.667 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.564 ' HB3' HG11 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -60.65 -50.71 72.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.718 0.294 . . . . 0.0 111.013 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.65 -33.63 70.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.3 m -57.32 -43.5 83.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.617 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.21 -61.36 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.584 HG23 ' HG3' ' A' ' 83' ' ' GLU . 3.3 p -49.91 -38.37 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.305 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.9 m -57.46 -56.66 18.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -61.1 -44.5 97.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.6 t -54.09 -28.48 39.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.868 HD11 ' HB3' ' A' ' 83' ' ' GLU . 54.0 mt -83.11 -28.71 29.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.406 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -74.48 -20.72 79.5 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.807 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -26.98 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 111.217 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.403 HG23 ' CD2' ' A' ' 39' ' ' PHE . 16.6 m -90.55 -29.23 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.352 . . . . 0.0 111.402 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.438 ' CE1' ' HE3' ' A' ' 79' ' ' LYS . 32.8 m-85 -96.13 -27.02 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.12 27.1 12.71 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.727 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.406 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 15.3 m -115.97 155.38 17.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.79 0.329 . . . . 0.0 111.065 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.46 162.04 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.048 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -56.29 -55.82 28.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.797 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.98 -24.28 62.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -57.49 -30.59 65.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.416 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 24.1 mm -72.71 -67.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.816 ' CE2' HG11 ' A' ' 84' ' ' VAL . 7.3 m-30 -139.41 166.3 24.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -109.27 165.5 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.759 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 m -49.74 -40.69 41.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.103 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.0 m -66.38 -28.65 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.094 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.698 HG21 ' CG ' ' A' ' 47' ' ' PHE . 97.3 m -72.86 -56.04 5.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.0 mt -55.13 -49.34 72.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.62 -29.26 64.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 110.743 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.584 ' HG2' HG23 ' A' ' 69' ' ' ILE . 2.4 tptt -73.82 -59.41 2.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.726 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.598 HD21 ' CD1' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -57.73 -21.56 41.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.412 179.709 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.718 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -80.21 -48.91 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 111.022 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -54.87 -46.93 74.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -72.99 -48.13 39.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.543 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.0 OUTLIER 64.3 51.0 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.428 ' O ' HD22 ' A' ' 88' ' ' LEU . 1.7 p -139.07 146.39 40.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.625 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.69 84.35 2.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.971 0.415 . . . . 0.0 111.152 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.547 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 43.7 m-20 -125.9 156.21 71.83 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.425 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -81.58 -52.26 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.716 2.277 . . . . 0.0 112.533 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.64 -40.83 76.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.479 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.4 t -54.57 -26.27 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.882 0.372 . . . . 0.0 111.401 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.755 HD12 HD21 ' A' ' 77' ' ' LEU . 18.0 mt -88.72 -24.89 22.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.335 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.561 HD21 ' HG2' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -65.03 -37.57 88.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.911 0.386 . . . . 0.0 111.008 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -75.05 -16.65 60.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.459 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.584 HG23 ' HG2' ' A' ' 54' ' ' LYS . 27.3 mm -63.8 150.38 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 111.133 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -73.05 127.21 31.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.55 -31.09 7.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.586 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.555 ' CG2' HG23 ' A' ' 51' ' ' THR . 17.7 t -79.62 143.66 12.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.811 0.339 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.48 -177.39 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.561 ' HG2' HD21 ' A' ' 67' ' ' LEU . 56.7 mt-10 -67.31 -32.08 72.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -73.23 -40.23 64.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -68.56 -37.24 79.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.755 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -80.97 -15.9 54.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.209 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -90.46 -35.62 15.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.799 0.333 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.438 ' HE3' ' CE1' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -96.22 -58.2 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.255 -179.72 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.716 ' O ' HG22 ' A' ' 84' ' ' VAL . 24.9 m-85 -78.88 -24.27 44.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.441 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.19 -27.23 7.13 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.685 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.88 -25.54 60.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.826 0.346 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.868 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -95.85 -58.46 2.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.816 HG11 ' CE2' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -50.62 -54.04 10.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.341 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.501 HD11 HD11 ' A' ' 77' ' ' LEU . 25.8 mt -59.96 -27.63 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.128 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 t -58.73 -32.21 69.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.912 0.387 . . . . 0.0 110.461 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.564 HG11 ' HB3' ' A' ' 27' ' ' GLU . 14.4 t -90.39 -19.76 7.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.375 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.744 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -85.4 -21.46 28.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.861 -179.302 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -34.67 27.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 0.0 111.169 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -64.67 -41.17 96.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.744 ' HD2' HD23 ' A' ' 88' ' ' LEU . 3.2 m-30 -57.44 -49.74 75.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -30.97 60.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.59 -27.48 64.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.027 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -103.46 -16.44 15.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.386 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.6 m -66.75 -29.81 69.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.795 0.331 . . . . 0.0 110.967 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.1 t -127.32 144.04 49.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.71 -27.63 37.95 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.541 2.161 . . . . 0.0 112.202 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.8 178.41 7.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -93.29 131.98 37.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -81.83 -60.18 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.687 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.1 OUTLIER -130.75 90.91 38.78 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.713 0.292 . . . . 0.0 111.014 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.08 -61.03 0.63 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.618 2.212 . . . . 0.0 112.448 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.13 31.75 2.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -99.56 -175.16 2.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 62.84 172.22 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 61.68 152.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.04 111.54 18.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.01 -177.06 5.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.067 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -158.14 128.99 6.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.57 109.81 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.085 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.66 117.23 8.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.054 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -88.86 90.51 8.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -117.95 152.37 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.57 34.58 2.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.12 -25.36 39.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.059 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -55.37 -34.25 64.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -61.13 -45.08 96.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.94 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.86 -25.15 59.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.918 ' HB3' HD11 ' A' ' 59' ' ' LEU . 76.9 mmm -73.75 -50.43 20.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.2 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.74 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 35.7 m -58.5 -40.7 79.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.863 0.363 . . . . 0.0 111.264 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' N ' HG23 ' A' ' 21' ' ' VAL . 23.0 mmtt -60.27 -44.68 95.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.015 0.436 . . . . 0.0 110.691 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -58.27 -33.69 69.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.643 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.64 -37.61 87.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.519 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.08 -35.96 80.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.658 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.74 -54.2 4.67 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.604 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.554 ' HB3' HG11 ' A' ' 87' ' ' VAL . 22.4 mt-10 -56.73 -34.02 67.11 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.915 0.388 . . . . 0.0 110.985 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' HA ' ' CG1' ' A' ' 31' ' ' VAL . 15.0 mt -73.1 -21.32 60.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.829 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.878 HG23 ' OH ' ' A' ' 43' ' ' TYR . 59.3 m -68.82 -54.84 13.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.743 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 1.2 pp20? -56.9 -48.85 77.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.174 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.486 ' CG1' ' HA ' ' A' ' 28' ' ' LEU . 2.9 p -56.44 -41.99 73.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.776 0.322 . . . . 0.0 110.7 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.6 m -60.07 -48.12 83.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.83 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 69.9 mttt -61.54 -48.46 80.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t -56.18 -38.84 71.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.779 HD21 ' HG3' ' A' ' 83' ' ' GLU . 53.5 mt -63.57 -35.63 81.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.801 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.453 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -71.86 -23.48 77.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.655 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -79.99 -28.47 39.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.655 0.264 . . . . 0.0 111.035 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.1 m -92.16 -35.85 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.439 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 79' ' ' LYS . 25.2 m-85 -85.32 -27.12 26.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.059 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.88 33.87 7.15 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.733 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.453 HG23 ' HA2' ' A' ' 36' ' ' GLY . 4.3 m -123.98 168.17 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.733 0.301 . . . . 0.0 111.095 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -80.47 162.07 24.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.123 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.878 ' OH ' HG23 ' A' ' 29' ' ' THR . 13.0 t80 -61.48 -25.26 67.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.764 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.65 15.04 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.41 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -100.83 -29.37 12.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.721 0.296 . . . . 0.0 110.799 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.456 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 28.0 mm -70.31 -67.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.821 ' CE2' HG11 ' A' ' 84' ' ' VAL . 11.5 m-30 -139.99 156.79 46.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.664 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -96.26 165.27 12.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.789 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.9 m -50.76 -39.68 52.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.7 p -73.14 -29.3 28.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.954 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.554 HG21 ' CD1' ' A' ' 47' ' ' PHE . 91.5 m -70.68 -48.95 52.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.28 -49.01 75.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.189 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -57.26 -31.31 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.834 ' HB3' HD12 ' A' ' 69' ' ' ILE . 2.0 mptt -64.07 -55.98 18.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.511 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.996 HD23 HD11 ' A' ' 88' ' ' LEU . 10.9 mp -55.72 -23.78 30.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.943 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.74 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -81.32 -63.38 1.41 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.453 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -47.01 -29.66 2.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.255 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.1 m -79.63 -45.23 19.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.918 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER 62.44 30.37 17.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.991 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.2 m -139.11 127.89 23.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.831 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.41 ' CB ' HG23 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -88.02 84.77 6.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.793 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.547 ' O ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -125.29 144.71 48.4 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.964 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 2.9 Cg_exo -74.31 -54.81 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.611 2.207 . . . . 0.0 111.895 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -39.39 80.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.435 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.501 HG23 ' HB3' ' A' ' 62' ' ' ASP . 36.0 t -69.19 -32.43 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.49 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.706 HD21 ' HG ' ' A' ' 55' ' ' LEU . 17.3 mt -76.36 -29.23 57.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.768 HD21 ' HG3' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -66.13 -37.17 85.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.807 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -71.91 -9.68 58.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.409 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.834 HD12 ' HB3' ' A' ' 54' ' ' LYS . 17.5 mm -64.83 139.64 21.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.771 0.319 . . . . 0.0 110.95 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.66 109.94 3.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.777 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.96 -28.33 11.39 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.47 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.491 ' CG2' HG23 ' A' ' 51' ' ' THR . 24.8 t -82.99 128.03 39.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 111.136 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.71 -179.27 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.768 ' HG3' HD21 ' A' ' 67' ' ' LEU . 10.9 mp0 -60.5 -49.09 78.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.787 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -58.62 -36.21 73.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -73.78 -33.3 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.675 HD11 HD11 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -86.12 -15.96 39.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.281 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -91.42 -29.66 16.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 1.3 ttpt -96.36 -58.21 2.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.374 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.658 ' O ' HG22 ' A' ' 84' ' ' VAL . 27.7 m-85 -83.01 -26.72 30.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.483 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.451 ' HA3' HD13 ' A' ' 77' ' ' LEU . . . -47.28 -27.72 4.07 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.949 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.4 -27.97 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.758 0.313 . . . . 0.0 111.211 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.779 ' HG3' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.21 -59.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.272 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.821 HG11 ' CE2' ' A' ' 47' ' ' PHE . 2.3 m -49.08 -52.99 8.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.755 0.312 . . . . 0.0 111.339 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.675 HD11 HD11 ' A' ' 77' ' ' LEU . 17.4 mt -63.94 -33.09 59.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.21 -29.6 46.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.072 0.463 . . . . 0.0 110.384 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.554 HG11 ' HB3' ' A' ' 27' ' ' GLU . 5.4 t -90.59 -19.93 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.376 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.996 HD11 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -87.6 -17.85 31.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.086 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -50.88 -36.35 37.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.0 0.429 . . . . 0.0 110.818 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -62.26 -46.94 86.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.782 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.679 ' O ' HG22 ' A' ' 95' ' ' THR . 1.2 m-85 -59.23 -38.34 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.64 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 t -57.41 -28.95 63.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.783 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -85.3 -23.74 28.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.451 ' CG ' ' HE1' ' A' ' 20' ' ' MET . 16.3 m95 -85.89 -35.78 20.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.298 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 91' ' ' TYR . 1.6 t -66.84 -33.08 74.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.058 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.0 m -94.65 107.94 33.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.35 85.37 1.07 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.462 2.108 . . . . 0.0 112.326 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -144.19 88.13 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.057 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -171.35 166.17 7.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -143.71 117.59 9.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.882 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 pt -87.91 151.19 49.31 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.721 0.296 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.87 133.94 26.56 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.552 2.168 . . . . 0.0 112.358 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -113.47 40.38 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -128.82 112.6 14.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.85 142.53 27.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -150.16 -55.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -116.43 -179.86 3.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.24 167.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 11' ' ' VAL . 24.0 tp -94.34 -66.54 0.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 10' ' ' LEU . 5.4 m -155.69 102.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.09 92.25 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -151.16 -46.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.05 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 m -136.44 140.45 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.345 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.9 t 70.05 8.47 6.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.703 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.63 -47.64 7.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.908 0.385 . . . . 0.0 110.834 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.527 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -67.91 -33.67 75.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.041 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -58.3 -42.42 86.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -79.2 -29.59 42.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.471 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 78.2 mmm -65.99 -47.57 74.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.743 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 11.2 m -65.35 -43.23 94.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.945 0.403 . . . . 0.0 111.289 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 21' ' ' VAL . 1.4 mmtm -59.39 -42.7 92.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.768 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.71 -29.81 65.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.874 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.505 ' HB2' HD21 ' A' ' 59' ' ' LEU . 18.7 t -69.9 -33.52 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -39.61 95.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.899 0.38 . . . . 0.0 110.411 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.64 -43.81 9.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.553 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.555 ' HB3' HG11 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -60.51 -50.65 72.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.431 HD22 HG12 ' A' ' 84' ' ' VAL . 14.2 mt -59.5 -32.07 69.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.471 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 75.0 m -59.17 -36.13 74.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.382 . . . . 0.0 110.484 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -68.14 -60.95 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.944 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.667 HG23 ' HG3' ' A' ' 83' ' ' GLU . 5.3 p -52.45 -35.8 20.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.216 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -57.68 -49.33 76.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.699 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 8.3 mttt -65.46 -46.18 80.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -55.32 -24.01 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.039 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.889 HD11 ' HB3' ' A' ' 83' ' ' GLU . 59.7 mt -87.27 -29.75 21.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.838 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.41 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -75.85 -26.54 64.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.628 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -28.36 43.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.813 0.34 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.5 m -86.87 -34.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.222 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 79' ' ' LYS . 20.6 m-85 -88.11 -26.39 22.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.22 27.99 11.35 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.613 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.41 HG23 ' HA2' ' A' ' 36' ' ' GLY . 9.9 m -118.52 163.25 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 111.013 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -78.26 162.16 26.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.993 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.471 ' CZ ' HG23 ' A' ' 29' ' ' THR . 9.8 t80 -58.6 -34.15 70.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.782 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -80.59 -1.84 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.546 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.08 -30.73 22.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.78 0.324 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.486 HD12 ' CE1' ' A' ' 80' ' ' TYR . 35.8 mm -68.33 -67.39 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.746 ' HE2' HG11 ' A' ' 84' ' ' VAL . 11.0 m-30 -137.86 157.32 46.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.711 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -90.86 165.06 13.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.4 m -56.24 -37.96 70.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.85 -25.79 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.268 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 m -73.4 -44.45 58.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.0 mt -59.54 -48.12 82.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -59.68 -31.1 69.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.863 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -68.99 -60.14 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.746 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.925 HD21 HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -55.38 -23.0 22.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.324 179.625 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.743 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -81.24 -47.21 13.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.978 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.75 -30.53 61.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.8 p -85.49 -50.3 7.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER 62.32 48.28 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.98 124.96 19.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.682 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.99 84.45 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 111.085 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.548 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -125.55 155.99 71.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.332 179.446 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -88.09 -48.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.647 2.232 . . . . 0.0 112.889 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -76.59 -33.83 58.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.39 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.548 HG23 ' HB3' ' A' ' 62' ' ' ASP . 53.5 t -57.0 -23.73 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.286 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.925 HD13 HD21 ' A' ' 55' ' ' LEU . 1.7 mt -91.17 -43.68 9.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.958 0.409 . . . . 0.0 110.634 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.754 ' O ' HD23 ' A' ' 67' ' ' LEU . 3.9 tt -49.83 -38.47 35.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.355 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -71.17 -20.14 62.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.863 HD12 ' HB3' ' A' ' 54' ' ' LYS . 31.4 mm -65.63 134.8 29.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.688 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -53.99 110.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.073 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.23 -27.0 7.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.678 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 t -85.15 148.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.16 -177.06 5.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -68.31 -19.07 64.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.252 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -90.13 -47.22 7.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.767 0.318 . . . . 0.0 111.192 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -57.24 -41.84 80.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.131 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.88 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -76.26 -11.37 59.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.377 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -87.13 -46.3 9.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.665 0.269 . . . . 0.0 111.526 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 7.7 ptmt -91.37 -46.69 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.596 -179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.794 ' O ' HG22 ' A' ' 84' ' ' VAL . 19.8 m-85 -82.67 -25.12 33.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.273 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.76 -47.87 24.21 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.778 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.37 -23.59 57.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 111.262 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.889 ' HB3' HD11 ' A' ' 35' ' ' LEU . 2.0 tp10 -95.38 -61.95 1.38 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.159 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -47.96 -58.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.276 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.458 HD11 HD11 ' A' ' 77' ' ' LEU . 11.4 mt -55.47 -28.55 22.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.12 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -33.52 67.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.96 0.41 . . . . 0.0 110.297 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.555 HG11 ' HB3' ' A' ' 27' ' ' GLU . 13.6 t -90.82 -19.67 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.415 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 84' ' ' VAL . 0.5 OUTLIER -85.73 -15.31 42.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.928 -179.437 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -57.08 -32.22 66.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.939 0.4 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -67.18 -25.17 66.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.382 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.534 ' CE2' ' HA ' ' A' ' 88' ' ' LEU . 2.6 m-30 -78.07 -38.48 44.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.743 0.306 . . . . 0.0 111.171 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.4 t -63.84 -29.16 70.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.85 -15.66 24.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.476 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -114.11 13.32 18.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.531 0.205 . . . . 0.0 111.457 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.6 t -88.13 -32.9 18.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.844 0.354 . . . . 0.0 110.972 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.0 m -98.74 107.71 44.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.86 -42.79 3.0 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.371 2.048 . . . . 0.0 112.332 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.02 149.47 33.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -82.39 -28.53 31.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.976 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 62.87 86.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 p . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.035 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.154 0 N-CA-C 112.878 -0.089 . . . . 0.0 112.878 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.8 pt 42.68 53.27 8.57 Favored Pre-proline 0 N--CA 1.465 0.294 0 CA-C-O 120.936 0.398 . . . . 0.0 111.705 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -68.87 133.94 28.57 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.535 2.157 . . . . 0.0 112.273 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -148.18 115.6 6.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -176.04 -41.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.16 155.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -160.33 -67.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.67 -51.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.583 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -120.09 118.95 31.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.188 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -165.12 87.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.751 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.36 -66.8 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.212 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.87 172.38 12.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.39 -39.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.9 t 69.12 -68.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.238 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.5 p -175.66 36.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -25.87 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -57.29 -32.47 66.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.039 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.03 -36.5 75.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.013 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.98 -29.19 55.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.026 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.952 ' HB3' HD11 ' A' ' 59' ' ' LEU . 83.1 mmm -73.7 -48.77 29.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.989 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.715 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 32.7 m -57.85 -42.91 83.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.885 0.374 . . . . 0.0 111.048 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' HG23 ' A' ' 21' ' ' VAL . 5.6 mmpt? -62.59 -41.27 98.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.653 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -30.45 69.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.75 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.412 ' HG ' ' HE2' ' A' ' 91' ' ' TYR . 10.3 t -66.24 -38.17 87.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.567 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.1 -43.03 99.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.24 -47.04 13.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.854 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.581 ' HB3' HG11 ' A' ' 87' ' ' VAL . 31.4 mt-10 -58.73 -51.88 68.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.324 . . . . 0.0 111.125 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.484 HD21 ' CD1' ' A' ' 88' ' ' LEU . 13.3 mt -56.74 -32.26 65.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.796 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 85.3 m -59.64 -40.74 88.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.887 0.375 . . . . 0.0 110.469 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -61.31 -59.32 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.742 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.556 HG23 ' HG3' ' A' ' 83' ' ' GLU . 3.7 p -54.04 -36.61 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.925 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.5 m -58.56 -55.15 38.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -57.47 -48.44 79.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.049 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -55.34 -27.66 48.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.853 HD11 ' HB3' ' A' ' 83' ' ' GLU . 31.6 mt -82.03 -29.47 31.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -76.32 -24.79 67.46 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.749 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -78.32 -30.53 48.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.804 0.335 . . . . 0.0 111.002 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.1 m -80.08 -34.77 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.283 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.412 ' CE1' ' HD2' ' A' ' 79' ' ' LYS . 30.3 m-85 -90.46 -26.82 19.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.19 26.32 14.45 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.532 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.42 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 30.2 m -111.69 175.08 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.021 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -87.9 161.88 17.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.02 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.796 ' CZ ' HG23 ' A' ' 29' ' ' THR . 11.6 t80 -56.65 -35.53 68.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.761 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -73.19 -27.74 61.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -58.35 -38.83 78.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.475 HD12 ' CE1' ' A' ' 80' ' ' TYR . 33.5 mm -65.59 -67.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.955 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.754 ' CE2' HG11 ' A' ' 84' ' ' VAL . 6.2 m-30 -139.9 151.92 46.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.716 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -97.27 165.3 12.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.757 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.9 m -51.47 -30.64 20.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.2 m -71.21 -30.47 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.271 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.725 HG21 ' CG ' ' A' ' 47' ' ' PHE . 87.2 m -72.17 -58.36 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mt -51.24 -49.69 60.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.322 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -58.29 -36.5 73.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.809 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.533 ' CG ' HD12 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -67.31 -60.06 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.803 179.751 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.741 HD23 HD21 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -56.42 -22.45 31.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.587 179.775 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.715 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -74.37 -53.6 9.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.709 0.29 . . . . 0.0 111.051 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -45.25 87.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -53.75 53.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.952 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER 67.05 42.06 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 m -139.27 139.22 37.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.401 ' HB2' HG23 ' A' ' 85' ' ' ILE . 11.1 p -95.52 84.47 3.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.831 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.545 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -125.4 156.81 69.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.83 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -88.49 -48.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 122.673 2.249 . . . . 0.0 112.735 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -40.54 70.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 110.826 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.545 HG23 ' HB3' ' A' ' 62' ' ' ASP . 32.1 t -54.96 -27.19 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.895 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.754 HD12 HD21 ' A' ' 77' ' ' LEU . 56.2 mt -88.81 -23.89 22.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.323 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.777 HD21 ' HG2' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -61.97 -36.45 81.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.933 0.396 . . . . 0.0 110.695 179.666 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -78.24 -18.47 55.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.481 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.533 HD12 ' CG ' ' A' ' 54' ' ' LYS . 17.5 mm -63.65 144.1 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.93 0.395 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.26 128.14 35.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.0 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.56 -25.6 23.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.747 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.568 HG22 ' CE1' ' A' ' 47' ' ' PHE . 21.9 t -93.56 117.75 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 111.089 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.1 p -106.05 -171.0 1.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.777 ' HG2' HD21 ' A' ' 67' ' ' LEU . 3.5 mt-10 -70.52 -45.23 65.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.9 -31.16 71.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.04 -37.77 78.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.754 HD21 HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -82.22 -15.99 51.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.347 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.1 -30.35 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.848 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.412 ' HD2' ' CE1' ' A' ' 39' ' ' PHE . 27.1 ttpt -96.7 -57.71 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.233 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.65 ' O ' HG22 ' A' ' 84' ' ' VAL . 25.4 m-85 -80.02 -24.57 40.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.511 -179.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.52 -33.07 11.24 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.76 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.93 -24.43 65.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.32 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.853 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.15 -61.76 1.39 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.129 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.754 HG11 ' CE2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -47.96 -58.18 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.328 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.498 ' H ' HG23 ' A' ' 84' ' ' VAL . 19.3 mt -54.54 -25.99 15.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -34.8 75.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.023 0.439 . . . . 0.0 110.132 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.581 HG11 ' HB3' ' A' ' 27' ' ' GLU . 19.5 t -90.89 -22.52 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.412 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.741 HD21 HD23 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -78.99 -27.51 43.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.627 -179.48 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -47.33 -30.66 3.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.955 0.407 . . . . 0.0 111.161 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -68.06 -46.6 70.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.518 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.488 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 1.1 m-30 -58.93 -39.42 81.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.661 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.464 ' HA ' HG22 ' A' ' 95' ' ' THR . 0.6 OUTLIER -60.76 -27.27 67.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.701 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -82.25 -27.4 32.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -87.21 -33.78 19.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.985 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.464 HG22 ' HA ' ' A' ' 92' ' ' SER . 9.3 t -66.8 -39.64 87.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.108 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.74 107.79 55.7 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.66 169.16 20.73 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.416 2.077 . . . . 0.0 112.322 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -169.37 -46.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.71 114.77 3.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.44 -51.22 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.16 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 28.0 mm -116.66 89.58 28.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.741 0.305 . . . . 0.0 111.104 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.78 116.63 4.54 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.563 2.175 . . . . 0.0 112.338 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -137.94 166.74 23.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -134.78 163.84 28.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.981 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -92.03 119.15 31.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.837 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -117.64 33.09 5.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -145.43 20.34 1.53 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.086 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.614 ' HB2' ' CB ' ' A' ' 97' ' ' PRO . . . 50.34 55.42 9.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 111.252 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 tp -77.91 158.08 29.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t 64.17 145.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.11 66.6 1.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -151.71 34.47 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.56 146.05 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.7 p -90.04 74.31 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -37.77 16.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.12 -36.77 29.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -60.05 -39.73 86.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.69 -32.24 62.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.778 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -52.74 62.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.956 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 56' ' ' ALA . 4.5 m -63.21 -35.11 70.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.85 0.357 . . . . 0.0 111.083 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -62.53 -57.83 9.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.577 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -57.2 -28.44 62.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.664 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.429 ' HA ' ' OH ' ' A' ' 91' ' ' TYR . 25.6 t -64.6 -44.83 89.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.575 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -58.47 -33.65 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.673 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.01 -47.42 8.48 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.562 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.523 ' HB3' HG11 ' A' ' 87' ' ' VAL . 3.0 mt-10 -59.64 -51.96 67.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.791 0.329 . . . . 0.0 110.974 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.596 HD21 ' CD1' ' A' ' 88' ' ' LEU . 13.3 mt -56.52 -33.66 66.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.804 HG23 ' OH ' ' A' ' 43' ' ' TYR . 80.5 m -60.12 -31.89 70.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.36 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.0 -58.36 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.608 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.624 HG23 ' HG3' ' A' ' 83' ' ' GLU . 5.6 p -55.95 -34.14 37.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.1 m -57.12 -48.66 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.634 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HE2' ' CD2' ' A' ' 43' ' ' TYR . 11.1 mttt -66.88 -42.4 85.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.743 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.7 m -57.57 -31.62 66.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.772 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.807 HD21 ' HB2' ' A' ' 83' ' ' GLU . 59.9 mt -76.76 -27.88 55.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.538 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -73.82 -19.84 79.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.727 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -90.12 -30.34 17.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 111.229 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.8 m -85.35 -29.63 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.362 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.448 ' CZ ' ' HG2' ' A' ' 79' ' ' LYS . 35.0 m-85 -96.28 -27.11 15.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.076 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.22 34.98 6.17 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.677 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.538 HG23 ' HA2' ' A' ' 36' ' ' GLY . 4.9 m -126.27 159.75 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 111.096 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.53 162.1 27.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.804 ' OH ' HG23 ' A' ' 29' ' ' THR . 11.6 t80 -58.79 -25.15 62.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.048 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -91.48 15.32 12.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.353 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.09 -28.28 11.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.753 0.311 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.462 HD13 ' CZ ' ' A' ' 80' ' ' TYR . 28.1 mm -70.89 -67.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.738 ' HE2' HG11 ' A' ' 84' ' ' VAL . 14.7 m-30 -137.94 166.25 24.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -100.51 165.19 11.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.0 m -53.92 -45.62 71.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.63 -25.36 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.433 ' CG2' HG23 ' A' ' 72' ' ' VAL . 8.3 m -72.49 -49.61 31.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.027 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.6 mt -56.65 -48.22 78.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.024 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.569 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -57.92 -26.49 62.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.919 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.757 ' HB3' HD12 ' A' ' 69' ' ' ILE . 7.6 tptt -66.09 -57.84 6.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.793 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.063 HD21 HD13 ' A' ' 66' ' ' LEU . 1.9 mp -53.96 -25.32 20.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.272 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.659 ' O ' HG12 ' A' ' 21' ' ' VAL . . . -82.76 -51.03 8.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.304 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -47.27 -28.88 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.1 t -91.85 -45.75 8.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.879 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.2 OUTLIER 66.43 45.88 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.027 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -139.04 136.37 35.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.726 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.01 84.04 3.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.937 0.399 . . . . 0.0 111.101 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.657 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -126.07 154.44 74.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.319 179.324 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -79.73 -46.47 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.737 2.291 . . . . 0.0 112.5 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.15 -36.7 74.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.351 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.657 HG23 ' HB3' ' A' ' 62' ' ' ASP . 74.0 t -55.15 -59.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.437 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.063 HD13 HD21 ' A' ' 55' ' ' LEU . 5.8 mt -57.64 -28.27 63.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.11 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.569 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -58.91 -41.8 88.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.053 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -71.96 -17.68 62.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.395 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.757 HD12 ' HB3' ' A' ' 54' ' ' LYS . 23.5 mm -63.95 133.02 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 111.061 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -60.03 127.13 30.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.42 -28.37 15.76 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.569 HG22 ' CE1' ' A' ' 47' ' ' PHE . 25.0 t -91.47 116.92 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 111.086 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.6 p -106.61 -178.12 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.81 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -30.13 70.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -78.18 -33.86 49.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -69.01 -31.71 70.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.835 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -88.58 -16.53 32.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.15 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -91.24 -29.32 17.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.351 . . . . 0.0 111.064 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.448 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -96.52 -52.15 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.458 -179.754 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.691 ' O ' HG22 ' A' ' 84' ' ' VAL . 27.7 m-85 -88.63 -24.86 22.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.525 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -47.5 -30.51 6.27 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.812 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.99 -29.0 67.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.756 0.312 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.807 ' HB2' HD21 ' A' ' 35' ' ' LEU . 2.7 tp10 -92.87 -60.36 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.057 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.738 HG11 ' HE2' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -47.88 -63.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.21 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.592 HD11 HD11 ' A' ' 77' ' ' LEU . 26.0 mt -50.8 -26.7 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.269 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -60.37 -33.44 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.039 0.447 . . . . 0.0 110.273 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.523 HG11 ' HB3' ' A' ' 27' ' ' GLU . 16.3 t -90.66 -19.71 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.195 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.707 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -88.24 -12.82 42.63 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -179.181 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -54.42 -34.01 60.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.888 0.375 . . . . 0.0 111.106 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -67.26 -31.5 71.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.879 ' HB3' HD13 ' A' ' 59' ' ' LEU . 7.4 m-30 -65.83 -53.1 44.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.5 t -54.79 -30.25 56.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -76.76 -29.21 56.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -104.54 13.3 31.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.219 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 75.2 m -76.64 -31.45 57.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.909 0.385 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.9 m -113.37 115.97 46.8 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.614 ' CB ' ' HB2' ' A' ' 9' ' ' ALA . 48.1 Cg_endo -68.58 -46.38 1.91 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.424 2.083 . . . . 0.0 112.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.14 107.27 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -92.9 96.57 10.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -163.7 -46.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.898 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.8 mt -113.95 88.24 14.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.647 0.261 . . . . 0.0 111.107 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -51.97 116.19 2.62 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.592 2.195 . . . . 0.0 112.263 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -145.25 135.36 23.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.922 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -73.62 85.21 1.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.31 89.15 1.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.816 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -143.32 35.11 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.68 131.55 43.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.99 170.23 17.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.711 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -130.51 155.31 46.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.005 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 12' ' ' ALA . 11.1 p -130.94 -45.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.477 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -85.46 75.99 10.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.174 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -176.67 -40.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.2 m -128.24 159.02 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.56 85.65 2.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -91.44 -17.16 26.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.281 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.643 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.1 ptt-85 -56.4 -33.76 66.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.721 0.296 . . . . 0.0 111.398 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -60.31 -40.32 90.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.055 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -81.99 -29.81 31.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.416 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -66.82 -44.28 81.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.756 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 10.2 m -68.81 -44.4 81.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.184 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -60.17 -44.43 95.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.034 0.445 . . . . 0.0 110.699 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -56.44 -30.47 62.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.708 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.522 ' HB2' HD21 ' A' ' 59' ' ' LEU . 15.4 t -69.66 -31.22 69.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.709 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -43.08 96.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.58 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.78 -43.7 14.03 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.437 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.526 ' HB3' HG11 ' A' ' 87' ' ' VAL . 4.8 mm-40 -60.26 -49.62 76.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.468 ' HA ' HG12 ' A' ' 31' ' ' VAL . 12.2 mt -59.82 -29.87 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.681 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.434 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 89.6 m -60.22 -37.24 79.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.109 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.87 -60.08 3.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.568 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.845 HG23 ' OE2' ' A' ' 83' ' ' GLU . 2.8 p -50.49 -38.12 15.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.835 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.0 m -60.16 -51.16 70.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.579 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 6.0 mttt -61.12 -50.84 71.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.804 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.2 m -53.09 -29.18 29.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' ' 83' ' ' GLU . 52.3 mt -78.47 -24.37 46.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -80.81 -27.15 51.65 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.737 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -82.18 -31.92 30.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 111.12 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.6 m -79.36 -34.43 16.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.275 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.44 ' CZ ' ' HG2' ' A' ' 79' ' ' LYS . 34.6 m-85 -95.72 -27.14 15.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.028 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.04 26.7 13.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.413 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 30.4 m -112.93 158.11 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 111.068 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -70.14 162.4 28.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.056 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.434 ' CZ ' HG23 ' A' ' 29' ' ' THR . 7.8 t80 -61.65 -47.49 85.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.756 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -64.04 -29.15 70.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.36 -30.39 69.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.416 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 34.3 mm -67.32 -67.12 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.55 ' CG ' HG21 ' A' ' 51' ' ' THR . 12.9 m-30 -137.85 177.19 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' HB3' HG22 ' A' ' 50' ' ' VAL . 6.8 t30 -121.07 165.37 15.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.808 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -50.97 -34.78 30.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.144 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.402 HG22 ' HB3' ' A' ' 48' ' ' ASN . 5.5 m -71.13 -28.53 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.55 HG21 ' CG ' ' A' ' 47' ' ' PHE . 99.3 m -73.89 -54.77 7.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.8 mt -55.57 -48.62 74.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.143 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -58.64 -36.19 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.074 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.866 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -70.13 -59.95 2.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.951 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.849 HD21 HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -55.11 -23.54 21.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.203 179.63 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.756 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -85.88 -46.68 10.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.27 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -55.07 -29.52 57.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.086 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.0 -46.39 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.823 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.528 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.0 OUTLIER 63.98 52.67 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.115 0.483 . . . . 0.0 110.853 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 t -139.13 136.67 35.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.474 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.3 p -89.16 83.99 6.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.043 0.449 . . . . 0.0 111.304 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.519 ' HB3' HG23 ' A' ' 65' ' ' VAL . 88.6 m-20 -126.19 139.54 34.73 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.323 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 5.5 Cg_exo -76.61 -48.56 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.567 2.178 . . . . 0.0 112.451 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -69.28 -37.45 77.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.397 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.519 HG23 ' HB3' ' A' ' 62' ' ' ASP . 97.9 t -53.78 -44.66 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.604 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.849 HD13 HD21 ' A' ' 55' ' ' LEU . 1.6 mt -62.98 -34.54 77.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 110.49 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.541 HD21 ' HG2' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -54.59 -40.8 69.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.146 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -71.6 -18.39 62.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.866 HD12 ' HB3' ' A' ' 54' ' ' LYS . 31.0 mm -68.84 135.86 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.22 127.96 34.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.81 -26.79 23.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.621 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.474 ' CG2' HG23 ' A' ' 51' ' ' THR . 14.4 t -89.98 139.45 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 111.111 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.2 p -132.33 178.92 6.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.541 ' HG2' HD21 ' A' ' 67' ' ' LEU . 2.2 mm-40 -61.44 -38.41 87.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -68.61 -48.09 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -31.43 72.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.778 HD21 HD12 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -85.02 -22.13 29.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -85.19 -28.79 25.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.682 0.277 . . . . 0.0 111.248 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.44 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -96.16 -51.31 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 111.323 -179.787 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.658 ' CD1' HD13 ' A' ' 35' ' ' LEU . 22.1 m-85 -83.33 -13.0 55.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.603 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.447 ' HA2' HG22 ' A' ' 84' ' ' VAL . . . -53.38 -38.44 57.48 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.779 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.26 -28.57 69.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.699 0.285 . . . . 0.0 111.35 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.845 ' OE2' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -96.37 -57.84 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.457 -179.619 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.771 ' O ' HD12 ' A' ' 88' ' ' LEU . 33.2 m -47.24 -44.92 8.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.971 0.415 . . . . 0.0 111.54 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.656 HG12 HG23 ' A' ' 84' ' ' VAL . 2.0 mm -70.06 -25.94 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.295 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.9 t -59.71 -32.72 70.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.384 . . . . 0.0 110.5 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.526 HG11 ' HB3' ' A' ' 27' ' ' GLU . 17.2 t -90.46 -29.06 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.189 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.771 HD12 ' O ' ' A' ' 84' ' ' VAL . 0.8 OUTLIER -73.58 -22.85 59.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.426 -179.55 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -54.13 -25.11 20.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.702 0.287 . . . . 0.0 111.182 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -73.35 -29.62 62.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.168 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.678 ' HD2' HD23 ' A' ' 88' ' ' LEU . 2.0 m-30 -72.32 -53.28 12.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.079 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -57.96 -22.98 51.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.338 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -95.07 -17.56 21.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.385 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -105.36 -13.63 15.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.555 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 t -66.7 -32.21 73.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 111.146 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.5 m -93.83 126.89 47.65 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.76 136.87 21.51 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.448 2.099 . . . . 0.0 112.347 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.84 87.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -123.62 -46.54 2.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.956 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -160.03 133.03 6.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.452 HD12 ' CB ' ' A' ' 4' ' ' GLU . 1.6 pt -144.62 140.93 17.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.52 0.2 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.624 ' HB2' ' HB1' ' A' ' 98' ' ' ALA . 52.1 Cg_exo -54.2 -31.33 65.47 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.395 2.064 . . . . 0.0 112.239 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.498 ' CG ' ' HB2' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -62.41 153.98 29.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -176.92 -65.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -100.93 -63.69 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -130.79 -176.24 3.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.28 -177.49 3.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.13 37.63 2.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.85 130.77 7.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.536 ' O ' HG12 ' A' ' 11' ' ' VAL . 15.3 t -123.91 38.42 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -140.25 179.15 6.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.41 148.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 15' ' ' SER . 12.2 p -135.59 -45.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.485 ' N ' HG13 ' A' ' 14' ' ' VAL . 5.8 t -99.83 31.53 3.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.47 -33.35 64.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.002 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -70.69 -39.21 73.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -35.39 78.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.65 -31.4 65.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.9 mtp -59.45 -57.16 14.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.686 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 3.8 m -59.19 -35.07 55.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.227 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -64.28 -61.67 2.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.595 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -54.12 -28.7 41.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.576 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.4 t -63.72 -44.63 93.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.382 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -36.48 69.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.709 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.21 -41.08 22.59 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.598 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.506 ' HB3' HG11 ' A' ' 87' ' ' VAL . 35.0 mm-40 -62.22 -54.33 42.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.347 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.444 ' HA ' HG12 ' A' ' 31' ' ' VAL . 15.4 mt -57.7 -28.23 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.404 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 85.8 m -61.81 -42.75 99.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.4 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -61.0 -58.47 8.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.73 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 28' ' ' LEU . 5.1 p -53.93 -38.01 35.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.977 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.4 m -58.97 -49.28 78.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -64.02 -45.23 89.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.898 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.1 m -56.2 -33.84 65.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.703 HD13 ' CD1' ' A' ' 80' ' ' TYR . 51.9 mt -73.43 -23.9 60.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.443 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -73.99 -45.16 27.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.789 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -64.47 -22.54 66.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.69 0.281 . . . . 0.0 111.403 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.3 m -92.18 -35.64 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.538 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.536 ' O ' HG13 ' A' ' 41' ' ' VAL . 48.4 m-85 -100.41 17.48 21.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.319 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.02 25.12 9.49 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.063 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 39' ' ' PHE . 28.9 m -112.49 149.7 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.059 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -71.38 162.29 29.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.288 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.404 ' CZ ' HG23 ' A' ' 29' ' ' THR . 6.0 t80 -54.68 -53.79 50.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.971 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -25.22 63.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.067 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -59.1 -42.89 91.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.474 HD12 ' CE1' ' A' ' 80' ' ' TYR . 46.7 mm -60.69 -67.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.99 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.664 ' CE2' HG11 ' A' ' 84' ' ' VAL . 16.5 m-30 -137.11 -179.88 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -118.34 165.05 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.643 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.485 ' HA ' HD12 ' A' ' 52' ' ' LEU . 19.9 m -54.76 -41.72 70.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.17 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.9 p -73.14 -26.83 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.335 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.567 ' CG2' HG23 ' A' ' 72' ' ' VAL . 2.3 m -73.76 -48.47 31.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.119 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 49' ' ' THR . 2.6 mt -57.05 -46.17 82.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.966 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -59.83 -29.74 68.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.816 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.83 ' HB3' HD12 ' A' ' 69' ' ' ILE . 8.8 mptt -63.16 -57.58 10.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.801 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.524 ' CG ' HD22 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -57.63 -25.31 59.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.324 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.686 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -81.33 -50.02 10.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.014 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -48.65 -28.35 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.98 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.6 -44.77 8.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.726 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.881 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.2 OUTLIER 67.11 49.0 1.14 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.716 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -139.17 148.98 43.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.743 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.9 p -103.07 84.54 2.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 111.059 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.536 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 2.3 m-20 -125.63 155.11 72.8 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.805 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -89.24 -51.08 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.882 2.388 . . . . 0.0 112.806 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -40.34 78.07 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.773 0.321 . . . . 0.0 111.04 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.481 HG23 ' HB3' ' A' ' 62' ' ' ASP . 47.9 t -52.43 -26.29 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.723 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.087 HD12 HD21 ' A' ' 77' ' ' LEU . 25.5 mt -86.24 -29.68 22.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.042 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.556 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -55.41 -35.15 65.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.338 179.49 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.61 -21.53 44.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.108 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.83 HD12 ' HB3' ' A' ' 54' ' ' LYS . 17.3 mm -63.71 134.4 28.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.87 0.367 . . . . 0.0 110.961 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.47 116.78 7.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.981 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.21 -27.32 9.61 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.628 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.618 HG22 ' CE1' ' A' ' 47' ' ' PHE . 21.8 t -98.07 122.15 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 111.232 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.6 p -112.19 -177.41 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -66.62 -29.6 69.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -78.15 -34.97 49.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -71.33 -36.94 71.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.048 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.087 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -82.91 -11.85 57.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -91.15 -32.76 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.788 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.44 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -96.63 -48.28 5.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.263 -179.733 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.703 ' CD1' HD13 ' A' ' 35' ' ' LEU . 26.0 m-85 -87.29 -23.85 24.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.642 -179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.411 ' HA3' HD13 ' A' ' 77' ' ' LEU . . . -47.95 -27.09 4.74 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.949 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.58 -25.64 59.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.737 0.303 . . . . 0.0 111.164 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.627 ' CG ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.18 -58.68 2.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.263 -179.825 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.668 ' O ' HD12 ' A' ' 88' ' ' LEU . 3.1 m -48.99 -54.34 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.506 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.492 ' H ' HG23 ' A' ' 84' ' ' VAL . 23.4 mt -60.16 -26.03 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.5 t -59.98 -33.83 72.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.037 0.446 . . . . 0.0 110.322 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.506 HG11 ' HB3' ' A' ' 27' ' ' GLU . 13.8 t -90.68 -19.81 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.446 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.785 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -84.99 -21.95 29.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.759 -179.312 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -50.69 -32.66 20.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.898 0.38 . . . . 0.0 111.026 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -67.5 -30.93 70.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.881 ' HB3' HD13 ' A' ' 59' ' ' LEU . 8.2 m-30 -66.93 -53.44 31.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.8 t -54.26 -30.13 49.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -73.71 -27.97 61.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -99.05 -16.48 18.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.346 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.7 m -66.68 -29.31 69.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.853 0.358 . . . . 0.0 111.001 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.0 t -84.65 117.89 69.78 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.807 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.51 -6.92 19.56 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.467 2.111 . . . . 0.0 112.636 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.624 ' HB1' ' HB2' ' A' ' 3' ' ' PRO . . . -100.4 -53.13 3.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.822 0.344 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -99.98 101.27 12.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -105.11 -59.36 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 112.627 -0.189 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.498 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 10.8 mm -83.45 -45.87 0.81 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.457 0.17 . . . . 0.0 111.392 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 2' ' ' ILE . 31.2 Cg_exo -59.41 130.17 34.55 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.299 1.999 . . . . 0.0 112.238 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -137.46 99.37 3.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -125.02 28.31 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.11 152.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -146.55 -54.31 0.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.3 113.22 2.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -133.4 136.77 45.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.8 mt -108.75 117.94 35.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.39 -66.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 59.1 42.69 18.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.176 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -68.59 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.57 75.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 m 59.13 84.51 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -74.43 -32.43 62.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.73 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -69.41 -37.51 77.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.1 -29.5 61.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HA ' ' CE ' ' A' ' 22' ' ' LYS . 6.9 tt0 -75.55 -22.27 57.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.34 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.446 ' HE3' ' CD1' ' A' ' 59' ' ' LEU . 60.0 mmm -82.95 -33.05 26.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.305 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 17' ' ' ARG . 1.5 m -73.59 -46.83 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.537 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.449 ' N ' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -65.12 -40.03 93.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.776 0.322 . . . . 0.0 110.676 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -31.16 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.467 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.567 ' HB2' HD21 ' A' ' 59' ' ' LEU . 4.8 t -69.34 -34.78 75.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.51 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -40.9 93.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.764 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.23 -42.0 20.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.692 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.538 ' HB3' HG11 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -61.71 -50.95 70.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 28' ' ' LEU . 13.0 mt -59.42 -27.75 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.024 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.789 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 90.6 m -62.69 -44.03 97.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.918 0.39 . . . . 0.0 110.387 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.55 -58.11 9.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.805 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.796 HG23 ' CD ' ' A' ' 83' ' ' GLU . 3.2 p -50.94 -42.94 24.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.17 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.7 m -60.07 -49.81 76.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 27.1 mttt -59.69 -51.02 71.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.2 t -55.75 -30.57 61.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.686 HD11 ' HB3' ' A' ' 83' ' ' GLU . 52.0 mt -75.47 -26.17 57.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.824 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.427 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -80.69 -30.87 38.12 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.605 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.75 -27.35 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 0.0 110.985 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.9 m -86.81 -33.57 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.312 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CE1' ' HE2' ' A' ' 79' ' ' LYS . 24.2 m-85 -94.02 -26.64 16.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.19 26.3 14.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.705 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.427 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 16.6 m -113.36 158.39 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.92 0.391 . . . . 0.0 111.053 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -70.09 162.0 29.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.789 ' CZ ' HG23 ' A' ' 29' ' ' THR . 12.7 t80 -61.17 -34.49 75.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.794 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -76.52 -28.34 56.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.003 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -58.07 -30.84 66.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.452 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 33.7 mm -70.57 -67.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.014 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.739 ' CE2' HG11 ' A' ' 84' ' ' VAL . 9.1 m-30 -138.43 150.76 46.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' HB3' HG22 ' A' ' 50' ' ' VAL . 7.9 t30 -93.93 165.21 12.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.837 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 m -51.78 -34.8 41.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.44 HG22 ' HB3' ' A' ' 48' ' ' ASN . 6.1 m -69.88 -28.49 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.647 HG21 ' CG ' ' A' ' 47' ' ' PHE . 86.9 m -72.15 -59.18 2.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.4 mt -50.53 -47.88 57.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.223 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -35.23 74.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.746 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.919 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -67.4 -56.77 8.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.69 179.621 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.81 HD23 HD21 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -60.78 -18.86 57.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.513 179.575 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -84.91 -54.49 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.327 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.54 -29.79 27.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.127 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.2 p -89.04 -52.6 4.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.603 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.1 OUTLIER 66.31 52.42 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.058 0.456 . . . . 0.0 110.81 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.16 134.68 33.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.585 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.404 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . 0.6 OUTLIER -89.39 84.58 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.128 -179.863 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.518 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -125.69 155.1 72.98 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.681 179.433 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -88.8 -48.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.803 2.335 . . . . 0.0 112.825 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.25 -40.74 67.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.482 HG23 ' HB3' ' A' ' 62' ' ' ASP . 42.7 t -54.17 -25.89 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.794 HD12 HD21 ' A' ' 77' ' ' LEU . 29.4 mt -84.19 -29.92 26.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.807 HD21 ' HG3' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -59.91 -37.19 78.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.934 0.397 . . . . 0.0 110.861 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -75.01 -19.07 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.364 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.919 HD12 ' HB3' ' A' ' 54' ' ' LYS . 24.8 mm -63.96 137.78 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.907 0.384 . . . . 0.0 111.054 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.5 128.53 36.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.76 -27.88 14.48 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.529 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.494 ' CG2' HG23 ' A' ' 51' ' ' THR . 7.4 t -86.23 133.19 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.323 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.6 p -129.39 -178.27 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.807 ' HG3' HD21 ' A' ' 67' ' ' LEU . 2.4 mp0 -62.93 -32.32 73.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -74.17 -36.33 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.023 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -31.88 63.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.794 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -86.71 -19.88 28.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.077 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -91.26 -30.25 16.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.711 0.291 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.417 ' HE2' ' CE1' ' A' ' 39' ' ' PHE . 9.5 tttt -96.06 -58.26 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.345 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.607 ' O ' HG22 ' A' ' 84' ' ' VAL . 27.5 m-85 -83.74 -6.6 59.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.595 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.437 ' HA2' HG22 ' A' ' 84' ' ' VAL . . . -57.9 -47.64 87.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.745 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.76 -26.29 33.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.639 0.257 . . . . 0.0 111.627 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.796 ' CD ' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -96.19 -61.35 1.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.702 0.287 . . . . 0.0 111.467 -179.578 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.739 HG11 ' CE2' ' A' ' 47' ' ' PHE . 28.8 m -47.44 -45.53 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-O 120.859 0.361 . . . . 0.0 111.314 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.634 HG12 HG23 ' A' ' 84' ' ' VAL . 1.3 mm -65.94 -30.22 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.219 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -57.62 -32.21 67.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.917 0.389 . . . . 0.0 110.464 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.538 HG11 ' HB3' ' A' ' 27' ' ' GLU . 13.0 t -90.42 -22.15 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.262 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.81 HD21 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -78.77 -28.87 44.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.522 -179.638 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -49.68 -28.14 5.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -72.24 -30.3 64.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.016 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.603 ' HB3' HD13 ' A' ' 59' ' ' LEU . 3.4 m-30 -73.03 -45.17 59.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.047 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.9 m -62.26 -25.22 67.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.51 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -95.65 -26.15 15.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.585 0.231 . . . . 0.0 111.438 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -98.27 -8.27 27.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.433 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.2 t -66.86 -42.45 85.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 111.15 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.18 134.24 19.99 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.95 -167.2 0.4 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.537 2.158 . . . . 0.0 112.255 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 63.32 122.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.8 142.67 28.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -161.26 154.49 21.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.2 p . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.917 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -134.87 63.99 60.54 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 0.0 111.137 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.66 -60.0 0.79 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.586 2.191 . . . . 0.0 112.267 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.47 123.87 44.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -176.74 -40.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -116.02 102.33 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -125.54 162.5 24.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -72.06 127.72 33.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.75 ' O ' HD22 ' A' ' 10' ' ' LEU . . . -163.92 -67.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.75 HD22 ' O ' ' A' ' 9' ' ' ALA . 2.7 mm? -134.57 165.94 24.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 m -126.51 143.96 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.71 119.72 35.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.62 -31.42 11.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 15' ' ' SER . 21.5 t -120.28 157.72 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.464 ' N ' HG12 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -65.63 84.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -32.3 60.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.664 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -59.76 -29.09 67.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.28 -44.86 90.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.64 -24.83 53.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.43 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 78.6 mmm -70.66 -44.58 66.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.7 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 9.4 m -67.53 -38.58 80.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.395 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -51.08 68.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.996 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.07 -27.7 34.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.174 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.603 ' HB2' HD21 ' A' ' 59' ' ' LEU . 17.3 t -70.9 -38.3 72.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.099 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 53' ' ' LYS . 0.7 OUTLIER -61.49 -37.05 82.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.865 0.364 . . . . 0.0 110.729 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.79 -49.29 7.21 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.721 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.618 ' HB3' HG11 ' A' ' 87' ' ' VAL . 14.3 mm-40 -58.35 -47.35 84.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.337 . . . . 0.0 110.988 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 28' ' ' LEU . 14.1 mt -60.3 -30.91 69.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.07 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.64 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 89.0 m -59.96 -44.59 94.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.814 0.34 . . . . 0.0 110.454 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -59.56 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.815 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 28' ' ' LEU . 4.7 p -52.77 -38.36 27.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -58.0 -53.98 52.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -60.08 -46.89 88.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.927 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 m -54.61 -29.76 52.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.768 HD11 ' HB3' ' A' ' 83' ' ' GLU . 45.3 mt -81.2 -21.04 39.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.048 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.433 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -83.87 -38.08 10.84 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.766 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -22.14 60.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.722 0.296 . . . . 0.0 111.185 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m -90.51 -32.19 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.439 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -96.35 -22.06 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.175 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.4 23.4 21.83 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.77 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.433 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 29.3 m -115.07 149.46 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.72 161.81 19.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.195 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.64 ' CZ ' HG23 ' A' ' 29' ' ' THR . 7.0 t80 -56.43 -53.23 59.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.821 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.7 -26.38 65.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.987 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -36.44 72.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.999 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.454 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 34.8 mm -66.12 -67.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.065 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.689 ' CE2' HG11 ' A' ' 84' ' ' VAL . 11.8 m-30 -137.67 143.79 41.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.65 165.33 21.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.756 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m -51.28 -47.41 62.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.063 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.9 p -70.7 -21.83 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.283 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.546 HG23 HG23 ' A' ' 72' ' ' VAL . 25.6 m -73.12 -51.13 19.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.104 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.17 -51.02 71.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.036 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HA ' HD12 ' A' ' 25' ' ' LEU . 10.5 ptpt -54.27 -27.82 37.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.886 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.62 ' HB3' HD12 ' A' ' 69' ' ' ILE . 3.5 mptt -66.59 -59.07 3.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.554 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.549 ' CG ' HD22 ' A' ' 66' ' ' LEU . 1.0 OUTLIER -58.06 -21.76 47.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.286 179.345 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.7 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -79.74 -49.76 11.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.107 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.55 -33.81 64.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -83.49 -50.35 8.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER 63.96 49.12 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.903 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -139.0 124.85 19.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.729 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.59 84.7 5.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.096 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.528 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -125.39 156.16 70.61 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.593 179.703 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -88.94 -50.42 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.754 2.302 . . . . 0.0 112.953 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -39.42 67.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.721 0.296 . . . . 0.0 111.381 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.7 t -53.09 -25.31 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.848 HD12 HD21 ' A' ' 77' ' ' LEU . 25.6 mt -85.52 -30.37 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.639 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -57.51 -36.71 71.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.737 179.557 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -75.29 -21.27 58.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.62 HD12 ' HB3' ' A' ' 54' ' ' LYS . 20.6 mm -63.89 142.74 16.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.88 0.371 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -66.81 131.05 45.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.91 -34.93 4.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.575 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.546 HG23 HG23 ' A' ' 51' ' ' THR . 14.8 t -79.37 137.74 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.811 0.338 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 p -133.1 -177.6 4.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -32.63 72.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.147 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -77.36 -29.54 53.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.186 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.96 -31.44 22.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.848 HD21 HD12 ' A' ' 66' ' ' LEU . 1.1 tm? -81.54 -27.01 34.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -86.3 -23.79 26.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -96.06 -54.68 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.221 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.663 ' O ' HG22 ' A' ' 84' ' ' VAL . 24.1 m-85 -82.26 -23.84 35.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.412 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -47.04 -28.98 4.35 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.982 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.57 -27.74 64.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.74 0.305 . . . . 0.0 111.345 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.768 ' HB3' HD11 ' A' ' 35' ' ' LEU . 1.4 tp10 -95.98 -59.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.202 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.689 HG11 ' CE2' ' A' ' 47' ' ' PHE . 2.2 m -48.19 -54.29 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.429 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.466 ' H ' HG23 ' A' ' 84' ' ' VAL . 21.7 mt -58.23 -28.36 34.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -33.66 70.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.024 0.44 . . . . 0.0 110.292 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.618 HG11 ' HB3' ' A' ' 27' ' ' GLU . 14.1 t -90.66 -19.94 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.495 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.634 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -85.18 -19.16 32.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.299 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.83 -28.94 53.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.858 0.361 . . . . 0.0 111.052 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -69.96 -30.04 67.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.313 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.634 ' HD2' HD23 ' A' ' 88' ' ' LEU . 3.4 m-30 -70.95 -52.62 18.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 0.0 110.984 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.0 p -55.23 -25.94 36.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -91.55 -25.51 19.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.175 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -106.35 13.27 28.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.344 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.3 t -97.42 -31.1 12.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.773 0.32 . . . . 0.0 111.121 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.9 p -96.76 107.46 37.02 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.09 103.74 1.79 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.496 2.131 . . . . 0.0 112.39 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -164.84 -70.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -97.46 130.39 44.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.05 101.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.329 -0.844 . . . . 0.0 110.875 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.542 HD12 ' HG3' ' A' ' 4' ' ' GLU . 2.0 pt -145.92 136.16 12.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.599 0.237 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.58 99.84 1.31 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.52 2.146 . . . . 0.0 112.348 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.542 ' HG3' HD12 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -141.03 158.44 43.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.4 t80 61.01 159.79 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.1 mttt 62.21 -81.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.042 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 57.43 22.13 7.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.131 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 52.83 -178.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.13 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.517 ' HB1' ' HA ' ' A' ' 98' ' ' ALA . . . -111.67 -61.57 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 tt -177.04 109.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.9 p -144.15 147.8 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.051 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.44 -56.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.02 30.1 19.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.028 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 14' ' ' VAL . 11.3 m -89.7 76.51 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.012 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.87 16.39 9.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.279 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -91.55 -32.91 15.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.905 0.384 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -71.64 -54.35 10.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.48 -29.92 66.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -75.66 -26.97 58.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.901 ' HB3' HD11 ' A' ' 59' ' ' LEU . 73.6 mmm -74.68 -50.37 17.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.067 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.794 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 35.3 m -55.9 -43.64 75.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.888 0.375 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.449 ' N ' HG23 ' A' ' 21' ' ' VAL . 12.7 mmtm -63.31 -40.38 97.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.083 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -31.61 71.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.495 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.504 ' HG ' ' HE2' ' A' ' 91' ' ' TYR . 11.7 t -62.54 -39.8 94.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.211 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -62.25 -35.32 78.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.673 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.45 -56.99 3.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.693 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -54.4 -41.94 69.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.334 . . . . 0.0 111.062 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.822 HD22 HG23 ' A' ' 84' ' ' VAL . 16.2 mt -63.58 -30.61 71.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.619 HG23 ' OH ' ' A' ' 43' ' ' TYR . 91.4 m -62.62 -32.8 73.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.5 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.06 -58.26 4.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.797 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.656 HG21 ' HA ' ' A' ' 84' ' ' VAL . 7.3 p -54.15 -30.83 20.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.92 0.39 . . . . 0.0 111.07 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.5 m -65.26 -39.93 93.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.57 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HE2' ' CD1' ' A' ' 43' ' ' TYR . 10.8 mttt -74.57 -44.94 48.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.811 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.565 ' O ' HG13 ' A' ' 38' ' ' VAL . 12.5 m -55.88 -33.21 64.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.814 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.819 HD13 ' CD1' ' A' ' 80' ' ' TYR . 66.1 mt -74.09 -28.34 61.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.693 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.416 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -78.73 -35.84 30.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.547 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -74.85 -27.87 60.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.726 0.298 . . . . 0.0 111.038 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 34' ' ' SER . 32.8 m -84.4 -45.35 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.434 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.504 ' N ' HG23 ' A' ' 38' ' ' VAL . 47.2 m-85 -86.43 -26.23 24.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.28 25.39 16.56 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.717 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.416 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 15.8 m -109.53 152.75 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.983 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -60.87 160.44 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.197 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.619 ' OH ' HG23 ' A' ' 29' ' ' THR . 11.3 t80 -59.59 -51.28 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.715 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -66.13 -17.46 64.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.235 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -30.13 67.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.238 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.625 HD12 ' CE1' ' A' ' 80' ' ' TYR . 15.8 mm -75.4 -67.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.251 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.608 ' HE2' HG21 ' A' ' 84' ' ' VAL . 22.7 m-85 -139.82 158.32 44.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -93.99 165.2 12.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.3 m -56.05 -39.7 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.1 p -74.1 -24.69 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.421 HG23 HG23 ' A' ' 72' ' ' VAL . 39.2 m -74.51 -48.34 27.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.099 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 47' ' ' PHE . 76.1 mt -58.82 -46.42 87.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.51 ' HA ' HD12 ' A' ' 25' ' ' LEU . 4.3 ptpt -58.95 -32.77 69.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.955 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.678 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -63.55 -58.54 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.835 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.692 HD21 HD22 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -57.71 -22.07 44.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.364 179.697 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.794 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -75.44 -55.16 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.262 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.74 -32.55 59.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.5 p -75.35 -46.5 32.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.768 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.901 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER 63.95 41.98 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.04 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 p -139.15 135.32 33.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.772 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.1 t -93.99 85.3 4.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.528 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.4 m-20 -124.65 156.48 68.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.673 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -87.83 -47.33 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.87 2.38 . . . . 0.0 113.058 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.9 -40.58 60.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.43 HG23 ' HB3' ' A' ' 62' ' ' ASP . 58.4 t -50.42 -26.26 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.15 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.97 HD12 HD21 ' A' ' 77' ' ' LEU . 3.8 mt -88.05 -30.85 19.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.725 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.442 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -52.24 -37.09 54.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 179.739 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -77.33 -23.97 50.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.885 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.678 HD12 ' HB3' ' A' ' 54' ' ' LYS . 18.5 mm -63.64 136.26 26.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -65.28 127.81 33.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 104.56 -32.83 7.1 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.421 HG23 HG23 ' A' ' 51' ' ' THR . 17.4 t -83.33 138.15 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.1 -176.58 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -69.41 -30.83 68.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -77.6 -35.33 52.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -71.05 -39.9 71.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.97 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -82.7 -11.92 57.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.318 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -84.14 -41.47 17.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.756 0.312 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HE3' ' CE2' ' A' ' 39' ' ' PHE . 21.8 ttpt -93.43 -57.95 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.092 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.859 ' O ' HG12 ' A' ' 84' ' ' VAL . 12.2 m-85 -70.96 -11.32 60.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.294 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.81 -14.29 36.53 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.096 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.5 -25.66 15.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.936 0.368 . . . . 0.0 111.687 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.668 ' CG ' HD21 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -96.57 -69.89 0.74 Allowed 'General case' 0 C--O 1.233 0.228 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.272 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.859 HG12 ' O ' ' A' ' 80' ' ' TYR . 7.2 p -53.75 -32.78 21.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.719 -179.081 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.1 mm -72.01 -33.37 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.518 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 t -57.93 -30.31 65.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.146 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.5 t -82.11 -21.3 9.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.892 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.712 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -84.51 -25.05 29.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.436 -179.658 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -51.48 -31.81 24.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 110.738 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -65.17 -45.04 86.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.755 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.751 ' O ' HG22 ' A' ' 95' ' ' THR . 1.0 OUTLIER -60.49 -38.48 84.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.527 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.4 ' HA ' ' CG2' ' A' ' 95' ' ' THR . 9.2 t -58.41 -30.34 66.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.856 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.32 -28.58 34.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -81.35 -36.96 29.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 91' ' ' TYR . 2.1 t -71.1 -17.4 62.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.378 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -83.71 137.21 41.38 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.942 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -77.74 61.28 7.49 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.668 2.245 . . . . 0.0 112.407 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.517 ' HA ' ' HB1' ' A' ' 9' ' ' ALA . . . -173.04 145.92 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -152.19 104.03 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.1 69.67 1.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 53.4 p . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.952 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.597 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.79 0.328 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.79 -43.64 94.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -20.24 59.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.044 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.549 ' CB ' HD11 ' A' ' 59' ' ' LEU . 67.5 mmm -79.07 -42.52 26.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.214 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.746 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 5.7 m -65.88 -36.51 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 110.773 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -63.69 -46.87 83.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.479 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -32.11 67.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.617 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.39 -37.58 87.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.3 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.08 -40.19 92.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.654 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.28 -53.77 5.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.671 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.642 ' HB3' HG11 ' A' ' 87' ' ' VAL . 0.5 OUTLIER -53.87 -46.74 71.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.78 0.324 . . . . 0.0 111.038 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' ' 55' ' ' LEU . 12.2 mt -59.59 -30.57 68.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 m -59.31 -47.47 85.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.549 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -58.42 -59.94 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.664 HG23 ' OE1' ' A' ' 83' ' ' GLU . 4.1 p -51.62 -40.41 25.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.2 m -59.93 -51.02 71.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.731 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -59.43 -48.7 80.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.764 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 m -57.4 -30.47 64.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.843 HD21 ' HG3' ' A' ' 83' ' ' GLU . 33.2 mt -75.97 -30.15 58.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.64 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -72.97 -46.96 26.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.595 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -59.96 -24.07 64.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.66 0.267 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.85 -34.19 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.443 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -96.22 18.0 14.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.331 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.97 39.42 40.59 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.996 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.64 HG23 ' HA2' ' A' ' 36' ' ' GLY . 5.6 m -132.99 162.33 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.897 0.379 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.41 162.39 23.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.214 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -52.72 -54.57 31.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.033 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -58.86 -23.28 60.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -63.91 -29.83 70.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.113 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.487 HD12 ' CZ ' ' A' ' 80' ' ' TYR . 29.9 mm -71.86 -67.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.259 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.756 ' CE2' HG11 ' A' ' 84' ' ' VAL . 8.3 m-30 -138.19 143.88 40.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -84.68 165.35 17.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.459 ' HA ' HD12 ' A' ' 52' ' ' LEU . 1.8 m -49.09 -43.83 41.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.106 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 m -63.09 -30.04 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.613 HG21 ' CG ' ' A' ' 47' ' ' PHE . 99.1 m -75.39 -50.03 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 49' ' ' THR . 6.0 mt -52.8 -45.88 67.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.048 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -66.54 -36.38 82.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.767 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.923 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -60.93 -55.78 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.776 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.553 ' CD1' HD22 ' A' ' 66' ' ' LEU . 6.3 mp -53.0 -25.3 11.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.103 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.746 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -88.71 -59.08 2.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.618 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -44.54 -30.19 0.85 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.218 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 t -90.57 -41.45 11.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.661 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.739 ' HG ' HG12 ' A' ' 21' ' ' VAL . 8.0 mt 59.45 26.28 15.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 m -122.18 121.19 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.32 84.32 7.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.785 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.56 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -125.25 147.76 58.5 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.785 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 4.6 Cg_exo -75.78 -43.47 0.34 Allowed 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.516 2.144 . . . . 0.0 112.153 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.19 -35.59 61.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.56 HG23 ' HB3' ' A' ' 62' ' ' ASP . 23.0 t -68.72 -43.38 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.973 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.816 ' HB2' HD21 ' A' ' 77' ' ' LEU . 36.3 mt -73.69 -17.87 61.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.252 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.638 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -74.06 -36.34 64.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.88 0.372 . . . . 0.0 110.866 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.35 -3.68 34.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.712 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.923 HD12 ' HB3' ' A' ' 54' ' ' LYS . 26.3 mm -63.72 145.81 13.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.845 0.355 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -65.31 114.74 4.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.031 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.68 -34.83 5.42 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.637 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.439 ' CG2' HG23 ' A' ' 51' ' ' THR . 35.2 t -72.83 140.77 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.927 0.394 . . . . 0.0 111.218 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.5 p -131.84 -178.52 4.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.764 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.617 ' HA ' HD21 ' A' ' 67' ' ' LEU . 11.5 tt0 -62.76 -29.77 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -77.22 -28.73 53.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -81.32 -33.97 32.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.04 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.816 HD21 ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -81.08 -20.47 41.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -91.17 -29.3 17.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.47 -58.17 2.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.305 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.819 ' O ' HG22 ' A' ' 84' ' ' VAL . 24.3 m-85 -81.48 -28.0 34.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.423 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.422 ' HA2' HG23 ' A' ' 84' ' ' VAL . . . -47.03 -43.92 18.16 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.894 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.61 -27.82 63.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.712 0.291 . . . . 0.0 111.23 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.843 ' HG3' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.28 -60.95 1.51 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.273 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 80' ' ' TYR . 0.7 OUTLIER -50.69 -44.9 26.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.522 -179.62 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.555 HD11 HD11 ' A' ' 77' ' ' LEU . 43.0 mt -67.98 -29.84 46.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.691 0.282 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.4 t -56.3 -30.67 62.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.034 0.445 . . . . 0.0 110.318 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.642 HG11 ' HB3' ' A' ' 27' ' ' GLU . 21.7 t -90.73 -19.51 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.416 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.645 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -87.01 -21.11 26.33 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.205 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.51 -36.61 55.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.0 0.428 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -59.93 -45.21 93.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.692 ' HB3' HD22 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -60.21 -39.6 87.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.55 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.21 -29.5 58.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.747 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.895 179.666 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.813 0.339 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.34 -30.38 68.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -78.26 -30.3 48.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.926 ' HB3' HD11 ' A' ' 59' ' ' LEU . 55.0 mmm -73.63 -47.83 37.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.73 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 18.5 m -58.24 -41.81 81.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.95 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 21' ' ' VAL . 7.7 mmpt? -60.96 -40.52 93.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.558 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -59.56 -30.44 68.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.595 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.431 ' HG ' ' HE2' ' A' ' 91' ' ' TYR . 15.3 t -67.81 -35.15 78.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.456 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.14 -43.49 98.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.716 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.37 -45.45 14.46 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.701 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' HB3' HG11 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -59.48 -50.55 73.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.047 -179.775 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.43 ' HA ' HG12 ' A' ' 31' ' ' VAL . 13.1 mt -59.35 -28.07 66.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.761 HG23 ' OH ' ' A' ' 43' ' ' TYR . 87.4 m -61.73 -45.0 95.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.874 0.368 . . . . 0.0 110.394 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -59.69 -58.74 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.778 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 ' OE1' ' A' ' 83' ' ' GLU . 7.3 p -54.48 -34.16 28.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.903 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -63.5 -53.19 55.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.615 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HE2' ' CE2' ' A' ' 43' ' ' TYR . 16.2 mttt -59.26 -51.46 69.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -56.11 -29.72 61.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.571 HD21 ' HG3' ' A' ' 83' ' ' GLU . 18.4 mt -71.29 -27.25 63.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.431 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -77.74 -34.29 39.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.77 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.84 -26.46 59.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.16 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -87.17 -36.28 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.388 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.432 ' CZ ' ' HG3' ' A' ' 79' ' ' LYS . 26.9 m-85 -92.02 -25.19 18.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.35 28.35 10.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.644 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.464 HG23 HD11 ' A' ' 46' ' ' ILE . 10.8 m -119.07 161.06 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.846 0.355 . . . . 0.0 111.002 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.44 162.41 29.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.057 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.761 ' OH ' HG23 ' A' ' 29' ' ' THR . 8.1 t80 -58.6 -50.81 72.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.75 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -28.42 69.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.066 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.98 -29.1 66.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.021 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.464 HD11 HG23 ' A' ' 41' ' ' VAL . 25.0 mm -69.25 -67.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.915 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.723 ' HE2' HG11 ' A' ' 84' ' ' VAL . 9.1 m-30 -138.99 173.72 11.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.729 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.89 165.21 12.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.764 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.7 m -53.07 -34.12 55.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.954 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.8 p -73.51 -29.82 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.565 HG21 ' CG ' ' A' ' 47' ' ' PHE . 97.8 m -69.4 -54.33 14.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -54.27 -50.37 67.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.93 -31.42 64.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.645 ' CG ' HD12 ' A' ' 69' ' ' ILE . 2.2 tptt -69.69 -59.35 3.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.683 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.86 HD21 HD13 ' A' ' 66' ' ' LEU . 1.1 mp -56.32 -22.63 31.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.111 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.73 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -76.31 -59.24 2.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.75 -34.77 40.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.039 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -68.81 -51.05 44.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.71 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.926 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.2 OUTLIER 63.94 41.19 6.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.736 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.6 m -139.11 144.62 38.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.78 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -98.35 84.5 3.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.059 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 55.5 m-20 -125.37 156.49 70.08 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.543 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -87.82 -49.85 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.738 2.292 . . . . 0.0 112.912 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -37.26 66.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.835 0.35 . . . . 0.0 111.411 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.423 HG23 ' HB3' ' A' ' 62' ' ' ASP . 47.7 t -53.31 -26.06 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.864 HD12 HD21 ' A' ' 77' ' ' LEU . 12.8 mt -86.34 -28.83 23.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.036 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.639 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -57.93 -37.96 75.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.945 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -73.46 -10.18 59.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.326 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.645 HD12 ' CG ' ' A' ' 54' ' ' LYS . 19.4 mm -74.02 136.78 24.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.863 0.363 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.45 125.22 22.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.01 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.89 -31.55 8.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.585 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.465 ' CG2' HG23 ' A' ' 51' ' ' THR . 9.8 t -85.07 114.0 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 0.0 111.064 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.27 -176.88 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.494 ' HA ' HD21 ' A' ' 67' ' ' LEU . 7.1 mm-40 -67.55 -19.62 65.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -90.04 -38.0 13.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.926 0.393 . . . . 0.0 111.215 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -67.78 -37.05 81.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.864 HD21 HD12 ' A' ' 66' ' ' LEU . 1.1 tm? -78.45 -24.05 46.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.414 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -87.47 -27.14 22.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.659 0.266 . . . . 0.0 111.485 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.432 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -96.38 -24.86 15.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.731 -179.527 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.819 ' O ' HG22 ' A' ' 84' ' ' VAL . 43.5 m-85 -114.16 -23.08 9.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -45.75 -39.76 8.61 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.112 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.62 -27.13 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.778 0.323 . . . . 0.0 111.288 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.571 ' HG3' HD21 ' A' ' 35' ' ' LEU . 5.3 mm-40 -96.27 -60.29 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.274 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -47.28 -55.36 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.386 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.2 mt -57.51 -29.84 34.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.082 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.1 t -56.41 -32.74 65.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.966 0.413 . . . . 0.0 110.438 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.423 HG11 ' HB3' ' A' ' 27' ' ' GLU . 15.4 t -90.58 -19.8 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.345 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.756 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -86.01 -15.4 41.56 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.301 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.72 -35.62 61.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.824 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -63.96 -43.5 95.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.756 ' HD2' HD23 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -60.5 -41.56 94.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.666 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -31.9 63.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.666 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.798 179.755 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.867 0.365 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.98 -56.59 15.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -60.16 -26.3 66.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.6 mtp -62.57 -63.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.343 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.579 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 2.9 m -52.24 -43.53 39.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.731 0.301 . . . . 0.0 111.238 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -59.74 -48.68 80.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.035 0.445 . . . . 0.0 110.376 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -32.48 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.47 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.456 ' HA ' ' OH ' ' A' ' 91' ' ' TYR . 10.3 t -68.19 -34.28 75.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.602 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.29 -38.56 87.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.533 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.31 -43.84 12.32 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.56 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.515 ' HB3' HG11 ' A' ' 87' ' ' VAL . 26.2 mt-10 -60.08 -50.88 71.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 55' ' ' LEU . 13.0 mt -59.27 -31.07 68.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.511 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 95.1 m -60.09 -36.83 78.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.511 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.84 -59.1 3.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.738 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.546 HG23 ' HG3' ' A' ' 83' ' ' GLU . 4.3 p -52.48 -38.41 26.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.142 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.5 m -58.45 -50.67 72.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 6.7 mttt -60.3 -49.85 75.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.667 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -55.78 -25.41 40.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.874 HD11 ' HB3' ' A' ' 83' ' ' GLU . 40.1 mt -81.83 -29.66 32.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.19 -28.73 61.57 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.768 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -30.08 54.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 111.089 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -83.14 -34.38 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.266 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CZ ' ' HE3' ' A' ' 79' ' ' LYS . 21.2 m-85 -90.35 -25.96 20.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.005 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.11 18.38 36.99 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.636 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -106.94 175.16 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.789 0.328 . . . . 0.0 111.008 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -89.48 162.08 15.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.511 ' CZ ' HG23 ' A' ' 29' ' ' THR . 7.6 t80 -54.61 -49.59 70.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -25.32 68.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.999 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -62.6 -31.08 71.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.164 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.499 HD12 ' CZ ' ' A' ' 80' ' ' TYR . 30.1 mm -68.97 -67.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.191 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.8 ' CE2' HG11 ' A' ' 84' ' ' VAL . 6.7 m-30 -137.27 159.31 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.983 0.421 . . . . 0.0 111.002 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -100.23 165.38 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.8 m -48.45 -42.56 32.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.233 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.8 m -65.76 -34.93 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.619 HG21 ' CD1' ' A' ' 47' ' ' PHE . 89.4 m -69.7 -46.93 64.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.6 mt -57.37 -44.0 84.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.15 -32.54 71.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.783 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.911 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -67.26 -55.01 15.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.59 ' HG ' HD22 ' A' ' 66' ' ' LEU . 6.6 mp -52.79 -26.05 13.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.009 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.579 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -90.01 -58.37 2.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.469 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -40.09 -32.44 0.17 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.618 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.8 t -86.05 -42.21 14.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.809 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.2 OUTLIER 63.05 36.53 12.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.3 130.95 27.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.33 84.58 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.64 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.6 m-20 -125.42 148.7 62.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 3.2 Cg_exo -74.7 -52.65 0.11 Allowed 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.529 2.153 . . . . 0.0 112.134 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -65.38 -32.43 74.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.64 HG23 ' HB3' ' A' ' 62' ' ' ASP . 23.0 t -71.78 -48.05 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.015 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.804 ' HB2' HD21 ' A' ' 77' ' ' LEU . 35.5 mt -70.67 -17.86 62.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.326 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.768 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -75.67 -36.38 60.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 179.807 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -75.44 -3.38 33.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.728 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.911 HD12 ' HB3' ' A' ' 54' ' ' LYS . 31.7 mm -63.83 149.18 10.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -68.28 116.37 8.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.29 -30.6 10.03 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.609 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.442 ' CG2' HG23 ' A' ' 51' ' ' THR . 24.4 t -78.42 121.33 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 111.167 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.7 p -107.79 -177.63 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.767 ' HA ' HD21 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -63.34 -25.5 68.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -83.38 -27.37 29.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.219 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -74.71 -37.6 62.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.187 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -79.56 -21.45 45.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -91.58 -28.81 17.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.261 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.406 ' HE3' ' CZ ' ' A' ' 39' ' ' PHE . 19.4 ttpt -96.12 -58.34 2.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.461 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.649 ' CD1' HD13 ' A' ' 35' ' ' LEU . 14.6 m-85 -82.01 -27.57 33.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.304 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.83 -27.97 5.14 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.725 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.37 -28.25 66.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.774 0.321 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.874 ' HB3' HD11 ' A' ' 35' ' ' LEU . 2.5 tp10 -96.36 -61.92 1.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.272 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.8 HG11 ' CE2' ' A' ' 47' ' ' PHE . 3.3 m -48.19 -54.17 4.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.544 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.533 HD11 HD11 ' A' ' 77' ' ' LEU . 35.9 mt -57.88 -28.6 33.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.703 0.287 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -33.24 68.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.025 0.441 . . . . 0.0 110.177 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.515 HG11 ' HB3' ' A' ' 27' ' ' GLU . 14.5 t -90.62 -19.63 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.314 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.709 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -87.23 -14.0 42.25 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.159 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -55.36 -37.62 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.879 0.371 . . . . 0.0 110.965 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -62.62 -27.51 69.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.186 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.809 ' HB3' HD13 ' A' ' 59' ' ' LEU . 7.3 m-30 -71.0 -52.14 21.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.848 0.356 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.95 -25.76 12.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.006 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.773 0.321 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -62.17 -35.1 77.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.14 -23.27 57.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.955 ' HB3' HD11 ' A' ' 59' ' ' LEU . 80.8 mmm -76.76 -50.37 13.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.065 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.672 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 21.9 m -57.03 -41.48 77.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.94 0.4 . . . . 0.0 110.802 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.43 ' N ' HG23 ' A' ' 21' ' ' VAL . 7.6 mmtp -64.38 -40.8 96.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.402 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -60.35 -28.56 68.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.664 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.1 t -69.01 -37.38 78.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.463 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -45.74 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.71 -43.49 23.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.824 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.484 ' HB3' HG11 ' A' ' 87' ' ' VAL . 2.6 mm-40 -59.05 -51.2 71.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 111.003 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' HA ' HG12 ' A' ' 31' ' ' VAL . 13.3 mt -59.5 -28.56 67.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.039 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.5 m -61.58 -40.1 93.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 110.639 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -65.53 -58.51 5.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.832 HG23 ' OE2' ' A' ' 83' ' ' GLU . 5.6 p -52.68 -33.24 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.961 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -62.92 -55.43 26.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.691 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -58.53 -46.74 86.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.7 t -56.63 -30.87 63.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.771 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.764 HD13 ' CD1' ' A' ' 80' ' ' TYR . 18.5 mt -77.44 -28.78 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.443 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -76.81 -48.48 8.66 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.592 -0.814 . . . . 0.0 112.658 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.667 ' HE2' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -56.31 -23.25 35.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.649 0.261 . . . . 0.0 111.177 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.667 HG13 ' HE2' ' A' ' 37' ' ' LYS . 25.3 m -92.0 -29.58 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.435 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.442 ' CE1' ' HE3' ' A' ' 79' ' ' LYS . 28.6 m-85 -103.6 13.79 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.477 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.8 33.44 55.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.068 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.443 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 24.3 m -124.68 138.15 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.934 0.397 . . . . 0.0 111.037 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -57.44 162.2 3.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.353 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -56.04 -50.17 71.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.865 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -58.87 -27.43 65.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.79 -29.2 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.447 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 24.5 mm -73.99 -67.35 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.685 ' CE2' HG11 ' A' ' 84' ' ' VAL . 11.1 m-30 -137.97 171.44 14.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.944 0.402 . . . . 0.0 111.043 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -114.08 165.36 12.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.4 m -52.18 -32.29 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.1 m -73.22 -27.76 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.287 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.619 HG21 ' CG ' ' A' ' 47' ' ' PHE . 54.3 m -73.0 -57.05 4.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 mt -53.02 -49.12 66.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -57.67 -33.54 68.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.872 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -70.07 -57.18 5.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.637 HD11 HD22 ' A' ' 66' ' ' LEU . 1.2 mp -59.33 -20.04 51.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.53 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.672 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -77.51 -56.04 4.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.705 0.288 . . . . 0.0 111.027 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.08 -43.54 82.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 m -61.43 -52.78 63.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.955 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER 65.61 36.42 6.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.2 m -133.1 137.12 46.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.5 p -93.03 84.92 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.571 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -125.21 156.39 69.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.853 179.788 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -88.48 -51.25 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.845 2.363 . . . . 0.0 112.666 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -69.35 -43.58 73.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.053 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.3 t -52.76 -26.07 9.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.014 0.435 . . . . 0.0 111.0 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.637 HD22 HD11 ' A' ' 55' ' ' LEU . 91.3 mt -84.69 -28.88 26.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.204 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.64 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -60.34 -36.82 78.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.678 179.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -74.19 -19.24 60.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.255 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.872 HD12 ' HB3' ' A' ' 54' ' ' LYS . 19.5 mm -63.74 135.1 28.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.27 128.68 37.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.987 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.85 -25.71 22.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.659 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.504 ' CG2' HG23 ' A' ' 51' ' ' THR . 10.8 t -88.82 115.58 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.063 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.76 -179.62 4.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.593 ' CG ' HD21 ' A' ' 67' ' ' LEU . 74.5 mt-10 -68.74 -29.64 68.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -77.74 -35.46 51.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -73.57 -31.74 63.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.973 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.726 ' O ' HD13 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -81.03 -25.24 37.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.018 -179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -90.99 -22.34 20.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.238 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.442 ' HE3' ' CE1' ' A' ' 39' ' ' PHE . 3.5 tttt -96.43 -44.06 7.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.594 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.764 ' CD1' HD13 ' A' ' 35' ' ' LEU . 29.7 m-85 -98.58 -22.61 15.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.76 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -47.07 -27.58 3.64 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.988 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.15 -28.89 64.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.687 0.28 . . . . 0.0 111.299 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.832 ' OE2' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -96.4 -58.5 2.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.416 -179.765 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.685 HG11 ' CE2' ' A' ' 47' ' ' PHE . 9.2 m -48.67 -50.57 12.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.515 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.45 ' N ' HG23 ' A' ' 84' ' ' VAL . 14.8 mt -60.62 -32.41 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.734 0.302 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.7 t -55.17 -31.95 61.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.976 0.417 . . . . 0.0 110.515 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.484 HG11 ' HB3' ' A' ' 27' ' ' GLU . 8.9 t -90.48 -19.86 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.369 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -82.25 -25.95 33.63 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.859 -179.409 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -48.18 -36.31 13.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.96 0.41 . . . . 0.0 110.952 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -64.65 -32.6 74.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.807 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 1.4 m-30 -74.01 -32.9 63.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.587 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -35.25 74.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.765 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.762 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.746 0.308 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -34.81 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -76.56 -17.86 58.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.141 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.734 ' C ' HD21 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -83.31 -37.3 23.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.284 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.712 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 3.0 m -70.98 -35.69 60.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.906 0.384 . . . . 0.0 110.977 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -68.71 -56.23 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.744 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -57.56 -31.69 66.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.67 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 t -61.35 -43.95 98.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.505 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -58.6 -39.98 81.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.4 -40.37 48.43 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.672 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -62.11 -53.75 50.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 110.942 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.808 HD22 HG22 ' A' ' 84' ' ' VAL . 94.5 mt -58.88 -26.32 64.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.009 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.801 HG23 ' OH ' ' A' ' 43' ' ' TYR . 98.3 m -64.18 -36.86 85.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.86 0.362 . . . . 0.0 110.31 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -56.91 7.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.605 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.654 HG21 ' HA ' ' A' ' 84' ' ' VAL . 7.2 p -57.2 -29.64 32.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.968 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -65.94 -41.04 91.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.78 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -71.41 -45.74 61.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -55.61 -44.57 77.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.719 HD13 ' CD1' ' A' ' 80' ' ' TYR . 60.3 mt -60.57 -32.93 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.627 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.405 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -73.31 -20.9 80.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.565 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -86.25 -28.17 23.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.698 0.285 . . . . 0.0 111.056 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 36.0 m -90.71 -40.04 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.446 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.493 ' HE2' HD22 ' A' ' 35' ' ' LEU . 40.4 m-85 -83.21 -27.18 30.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.11 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.1 24.7 21.71 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.627 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.405 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 22.4 m -110.22 174.5 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 111.028 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -86.56 162.16 18.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.176 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.801 ' OH ' HG23 ' A' ' 29' ' ' THR . 6.2 t80 -55.54 -60.02 4.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -59.01 -21.09 58.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -42.21 81.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.06 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.471 HD12 ' CE1' ' A' ' 80' ' ' TYR . 34.0 mm -61.7 -67.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.113 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.552 ' HE2' HG21 ' A' ' 84' ' ' VAL . 21.2 m-85 -137.7 160.08 40.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.994 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.18 165.32 11.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.1 m -50.49 -43.71 55.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.07 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.9 m -65.88 -28.79 44.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.509 HG23 ' CG2' ' A' ' 72' ' ' VAL . 85.0 m -69.23 -58.24 4.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.228 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.84 -49.42 65.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.523 ' HA ' HD12 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -60.0 -36.7 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.975 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.874 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -65.74 -60.11 3.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.018 -179.815 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -52.93 -25.09 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.734 0.302 . . . . 0.0 111.201 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.712 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -81.19 -55.33 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.128 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -47.23 -29.25 2.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.048 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -84.88 -41.99 15.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.776 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.937 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.2 OUTLIER 64.57 44.32 4.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.635 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.31 142.49 37.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.6 p -97.99 85.07 3.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.524 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.2 m-20 -124.55 156.28 67.97 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -86.95 -47.8 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.77 2.313 . . . . 0.0 112.884 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -76.82 -36.13 57.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.817 0.341 . . . . 0.0 111.253 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.524 HG23 ' HB3' ' A' ' 62' ' ' ASP . 61.5 t -54.03 -23.78 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.365 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.003 HD13 HD21 ' A' ' 55' ' ' LEU . 1.5 mt -86.92 -32.97 19.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.91 0.386 . . . . 0.0 110.635 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.628 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -54.91 -38.79 68.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.966 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -72.07 -21.36 61.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.874 HD12 ' HB3' ' A' ' 54' ' ' LYS . 33.8 mm -63.84 147.45 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -70.3 125.19 26.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.08 -27.49 20.16 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.586 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.509 ' CG2' HG23 ' A' ' 51' ' ' THR . 14.4 t -81.37 152.57 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.5 p -144.04 -178.81 6.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.91 -29.31 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -80.44 -32.86 37.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.054 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -68.68 -43.0 77.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.957 HD21 HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -73.56 -15.12 61.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.266 179.79 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -91.37 -41.27 10.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.786 0.327 . . . . 0.0 111.15 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -81.59 -52.6 7.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.245 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.904 ' O ' HG12 ' A' ' 84' ' ' VAL . 26.9 m-85 -97.76 30.17 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.069 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -91.37 -10.81 61.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.978 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.25 -24.35 15.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.705 ' CG ' HD21 ' A' ' 35' ' ' LEU . 1.2 mm-40 -96.28 -70.3 0.72 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.904 HG12 ' O ' ' A' ' 80' ' ' TYR . 9.6 p -55.02 -32.65 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.658 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.9 mm -69.03 -36.63 74.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.815 0.34 . . . . 0.0 110.275 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.3 p -56.72 -31.6 64.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.084 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.7 t -78.55 -23.05 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.784 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.609 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.4 OUTLIER -80.85 -25.5 37.65 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.367 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -51.99 -25.55 8.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 111.193 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -81.24 -26.95 35.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.295 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.937 ' HB3' HD13 ' A' ' 59' ' ' LEU . 3.5 m-30 -72.5 -30.39 64.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.08 -29.55 19.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.101 -179.771 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 mtt-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.722 0.296 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -60.34 -59.88 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -22.93 67.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -61.85 2.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.273 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.813 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 11.1 m -55.55 -39.78 55.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 111.344 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -62.91 -46.51 87.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.63 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -29.11 68.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.769 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.477 ' HB2' HD21 ' A' ' 59' ' ' LEU . 36.6 t -66.53 -40.09 88.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -61.53 -37.74 84.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.779 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.09 -45.9 11.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.562 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.682 ' HB3' HG11 ' A' ' 87' ' ' VAL . 2.6 mm-40 -60.25 -51.07 71.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 111.04 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 28' ' ' LEU . 15.0 mt -58.94 -28.0 65.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.184 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.639 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 87.6 m -63.91 -37.84 88.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.374 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -58.38 6.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.828 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.637 HG23 ' CG ' ' A' ' 83' ' ' GLU . 2.5 p -57.55 -32.55 42.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -60.26 -45.29 93.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.709 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 9.8 mttt -67.6 -44.23 78.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.766 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.1 m -56.56 -34.06 66.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.784 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.869 HD11 ' HB3' ' A' ' 83' ' ' GLU . 86.0 mt -77.99 -29.91 49.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.628 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -76.15 -26.81 63.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.821 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -76.77 -24.79 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.74 0.305 . . . . 0.0 111.123 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.1 m -92.07 -30.72 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.509 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.453 ' CE1' ' HE2' ' A' ' 79' ' ' LYS . 25.1 m-85 -95.07 17.64 13.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.391 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.37 44.33 44.7 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.087 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.628 HG23 ' HA2' ' A' ' 36' ' ' GLY . 5.9 m -134.68 172.2 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.656 0.265 . . . . 0.0 111.071 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.53 162.09 14.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.032 0.444 . . . . 0.0 111.35 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.639 ' CZ ' HG23 ' A' ' 29' ' ' THR . 12.9 t80 -56.99 -22.92 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.002 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -91.45 15.08 13.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.334 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -104.71 -30.78 9.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.856 0.36 . . . . 0.0 110.734 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.457 HD12 ' CE1' ' A' ' 80' ' ' TYR . 29.3 mm -69.8 -67.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.713 ' CE2' HG11 ' A' ' 84' ' ' VAL . 13.8 m-30 -133.88 158.68 42.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.787 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -95.32 165.34 12.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.962 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.8 m -52.12 -46.25 65.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.996 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.5 p -71.81 -26.18 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 m -69.83 -49.24 54.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.076 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.5 mt -58.35 -51.38 70.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.055 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.404 ' HA ' HD12 ' A' ' 25' ' ' LEU . 12.6 ptpt -55.37 -30.88 61.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.657 ' HB3' HD12 ' A' ' 69' ' ' ILE . 1.4 mptt -62.61 -55.95 22.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.595 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.608 HD21 ' CD1' ' A' ' 66' ' ' LEU . 1.8 mp -59.13 -23.03 61.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.382 179.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.813 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -83.66 -49.62 8.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 111.069 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.62 -34.13 64.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.937 0.399 . . . . 0.0 110.659 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -84.69 -48.38 9.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.466 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.869 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.1 OUTLIER 63.54 50.45 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.086 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.8 m -139.29 125.69 20.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.764 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.407 ' HB3' ' CB ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -86.11 84.22 7.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.088 -179.799 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.607 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 11.9 m-20 -126.2 147.65 60.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.728 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 4.7 Cg_exo -79.07 -40.18 0.29 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.76 2.307 . . . . 0.0 112.418 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.04 -37.15 39.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.324 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.516 HG23 ' HB3' ' A' ' 62' ' ' ASP . 59.4 t -57.1 -38.63 61.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.211 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.815 HD12 HD21 ' A' ' 77' ' ' LEU . 15.2 mt -71.8 -31.88 67.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.612 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -58.14 -36.75 73.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -76.14 -19.61 58.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.381 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.657 HD12 ' HB3' ' A' ' 54' ' ' LYS . 22.0 mm -63.69 139.71 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 111.021 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -67.37 122.42 17.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.53 -28.97 11.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.453 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -85.02 133.19 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p -123.49 -178.07 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -42.14 98.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -66.91 -43.08 84.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.442 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 9.2 mmtm -59.81 -52.98 63.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.815 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -68.74 -12.16 61.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.791 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -81.04 -61.86 1.83 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.675 0.274 . . . . 0.0 111.62 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.453 ' HE2' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -80.92 -41.72 22.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.956 -179.041 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.643 ' O ' HG22 ' A' ' 84' ' ' VAL . 15.8 m-85 -80.94 -28.22 35.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.623 0.249 . . . . 0.0 111.402 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.61 -27.07 5.77 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.814 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.41 -24.05 50.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.713 0.292 . . . . 0.0 111.261 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.869 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -96.2 -61.7 1.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.196 -179.703 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.723 ' O ' HD12 ' A' ' 88' ' ' LEU . 3.2 m -49.8 -54.52 7.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.34 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.491 ' H ' HG23 ' A' ' 84' ' ' VAL . 27.3 mt -59.45 -25.68 31.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.07 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.9 t -60.74 -33.11 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.988 0.423 . . . . 0.0 110.312 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.682 HG11 ' HB3' ' A' ' 27' ' ' GLU . 12.3 t -90.76 -19.77 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.467 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.757 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -87.41 -17.8 31.45 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.27 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.54 -25.55 17.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 0.0 111.247 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -75.86 -29.01 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.164 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.869 ' HB3' HD13 ' A' ' 59' ' ' LEU . 4.9 m-30 -69.73 -51.95 29.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.188 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.2 t -62.69 -23.77 67.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.267 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.418 -179.741 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.614 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.747 0.308 . . . . 0.0 111.051 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -34.79 60.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.939 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.21 -30.27 34.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.454 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -67.24 -44.21 80.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.977 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.646 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 14.7 m -67.38 -45.07 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.179 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.474 ' N ' HG23 ' A' ' 21' ' ' VAL . 9.5 mmtp -60.61 -41.32 94.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -57.75 -31.12 66.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.505 ' HB2' HD21 ' A' ' 59' ' ' LEU . 19.1 t -69.44 -33.94 73.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.16 -41.44 98.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.848 0.356 . . . . 0.0 110.602 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.76 -44.45 10.37 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.641 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.489 ' HB3' HG11 ' A' ' 87' ' ' VAL . 6.1 mm-40 -59.04 -49.33 78.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.93 0.395 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.464 ' HA ' HG12 ' A' ' 31' ' ' VAL . 13.3 mt -60.94 -30.03 69.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.65 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 91.9 m -61.22 -32.47 72.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.355 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.11 -59.37 2.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 28' ' ' LEU . 5.6 p -53.16 -38.49 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.7 m -60.62 -43.72 97.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.711 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -58.67 -54.29 48.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -56.75 -31.31 64.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.794 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.713 HD13 ' CD1' ' A' ' 80' ' ' TYR . 26.9 mt -71.85 -21.47 61.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.037 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.667 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -81.61 -37.19 17.68 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.666 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -73.87 -27.19 60.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.703 0.287 . . . . 0.0 111.016 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.468 HG23 ' CD2' ' A' ' 39' ' ' PHE . 27.9 m -85.46 -28.85 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.534 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.468 ' CD2' HG23 ' A' ' 38' ' ' VAL . 44.6 m-85 -107.93 17.53 22.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.486 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 49.88 41.31 36.18 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.053 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.667 HG23 ' HA2' ' A' ' 36' ' ' GLY . 7.0 m -132.16 155.83 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.076 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.16 162.22 28.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.305 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.65 ' CZ ' HG23 ' A' ' 29' ' ' THR . 12.3 t80 -56.53 -48.0 78.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.789 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -18.72 65.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.255 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -72.33 -30.35 64.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.269 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.4 HD12 ' CE1' ' A' ' 80' ' ' TYR . 30.2 mm -67.0 -67.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.146 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.721 ' CE2' HG11 ' A' ' 84' ' ' VAL . 8.9 m-30 -138.24 150.09 46.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.994 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -92.13 165.36 13.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -51.37 -37.57 48.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.089 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.1 m -67.12 -26.64 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.277 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.689 HG21 ' CG ' ' A' ' 47' ' ' PHE . 77.0 m -74.33 -55.92 5.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.6 mt -56.27 -47.49 78.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.238 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -57.47 -35.01 69.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.768 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.536 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -67.62 -59.25 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.651 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.703 HD11 HD22 ' A' ' 66' ' ' LEU . 1.6 mp -58.53 -20.43 46.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.556 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.646 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -78.89 -50.97 10.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.345 . . . . 0.0 111.15 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.52 -47.51 73.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.077 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.2 p -71.37 -49.38 42.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER 64.61 50.94 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -139.18 146.1 40.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.704 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.66 84.81 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.548 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 4.4 m-20 -125.37 156.83 69.59 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -87.24 -59.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.956 2.437 . . . . 0.0 112.252 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -61.12 -47.09 87.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.1 t -52.5 -26.69 10.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.012 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.703 HD22 HD11 ' A' ' 55' ' ' LEU . 79.5 mt -87.43 -17.83 31.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.536 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.653 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -71.78 -37.31 70.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.45 -9.24 58.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.636 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.536 HD12 ' HB3' ' A' ' 54' ' ' LYS . 27.8 mm -68.06 152.3 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.854 0.359 . . . . 0.0 111.156 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -71.79 121.75 19.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.57 -34.75 4.67 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.651 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.579 ' CG2' HG23 ' A' ' 51' ' ' THR . 21.5 t -78.3 123.51 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.335 . . . . 0.0 111.248 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 p -121.0 -178.56 3.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.744 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.93 -45.15 91.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -63.17 -33.25 75.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -74.74 -35.58 62.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.579 HD21 ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -82.25 -18.74 41.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.245 -179.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -91.47 -28.64 17.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.46 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 8.7 ttpt -96.52 -57.91 2.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.259 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.713 ' CD1' HD13 ' A' ' 35' ' ' LEU . 27.6 m-85 -82.83 -28.02 30.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.459 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -44.89 -42.02 7.65 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 121.072 -0.585 . . . . 0.0 113.168 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.03 -27.09 66.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.719 0.295 . . . . 0.0 111.384 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.616 ' HG3' HD21 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -96.2 -62.2 1.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.443 -179.607 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.721 HG11 ' CE2' ' A' ' 47' ' ' PHE . 3.5 m -46.8 -52.05 4.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.426 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.486 HD11 HD11 ' A' ' 77' ' ' LEU . 31.5 mt -59.92 -27.65 39.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.841 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 t -58.47 -31.26 67.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 110.394 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.489 HG11 ' HB3' ' A' ' 27' ' ' GLU . 21.8 t -90.55 -19.6 7.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.356 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.764 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -86.53 -20.83 27.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.819 -179.39 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -49.78 -33.24 15.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.934 0.397 . . . . 0.0 111.11 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -65.69 -42.85 90.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.764 ' HD2' HD23 ' A' ' 88' ' ' LEU . 1.9 m-30 -58.9 -46.0 88.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.814 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.5 t -58.98 -21.28 58.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.367 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.575 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.767 0.318 . . . . 0.0 110.952 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -70.49 -41.53 72.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.854 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.58 -24.64 56.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.894 ' HB3' HD11 ' A' ' 59' ' ' LEU . 61.2 mmm -72.04 -46.29 57.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.168 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 17' ' ' ARG . 13.8 m -64.01 -35.9 75.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 111.056 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -63.35 -46.02 88.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.7 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -58.53 -28.94 65.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.945 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.433 ' HG ' ' HE2' ' A' ' 91' ' ' TYR . 22.4 t -66.29 -41.6 89.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.723 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.02 -40.08 88.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.94 -50.75 7.51 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.716 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.518 ' HB3' HG11 ' A' ' 87' ' ' VAL . 5.0 mt-10 -56.24 -49.14 75.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 111.178 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.442 ' HA ' HG12 ' A' ' 31' ' ' VAL . 15.9 mt -59.94 -28.16 67.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.822 HG23 ' OH ' ' A' ' 43' ' ' TYR . 88.9 m -62.21 -41.79 98.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.388 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.83 -58.54 7.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.704 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.854 HG23 ' OE1' ' A' ' 83' ' ' GLU . 5.7 p -54.92 -35.35 33.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.992 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.0 m -60.19 -52.61 64.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.62 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -58.39 -51.21 70.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.51 -30.92 61.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.747 HD13 ' CD1' ' A' ' 80' ' ' TYR . 17.3 mt -71.94 -28.37 63.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.413 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -78.65 -22.98 65.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.725 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -77.96 -39.64 41.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.733 0.301 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.8 m -76.55 -31.71 20.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.401 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.401 ' CZ ' ' HB2' ' A' ' 79' ' ' LYS . 22.6 m-85 -93.33 -27.26 16.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.034 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.22 15.83 49.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.781 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.413 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 31.1 m -101.39 168.19 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.64 162.08 23.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.11 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.822 ' OH ' HG23 ' A' ' 29' ' ' THR . 7.3 t80 -54.69 -53.69 51.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.863 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.05 -26.17 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -58.21 -32.94 68.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.975 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.472 HD12 ' CE1' ' A' ' 80' ' ' TYR . 32.9 mm -68.4 -67.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.852 ' CE1' HG22 ' A' ' 72' ' ' VAL . 10.8 m-30 -138.42 140.21 39.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.43 165.3 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.6 m -53.32 -41.7 65.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.7 p -72.78 -29.63 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.488 ' CG2' HG23 ' A' ' 72' ' ' VAL . 12.6 m -68.41 -48.42 64.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.217 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.31 -51.16 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.057 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -55.53 -29.31 58.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.921 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -64.23 -57.24 10.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.667 179.7 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.711 HD21 HD13 ' A' ' 66' ' ' LEU . 1.3 mp -58.24 -22.2 51.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.436 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.547 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -75.53 -58.05 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.977 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.77 -36.21 67.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 m -67.61 -53.17 30.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.834 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.894 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER 66.56 37.71 4.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.297 179.753 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.4 p -139.14 137.5 36.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.757 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.76 84.22 2.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 111.078 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.646 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -125.82 156.07 71.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.559 179.493 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.62 -45.63 0.12 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.592 2.194 . . . . 0.0 111.944 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.97 -50.42 55.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.896 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.646 HG23 ' HB3' ' A' ' 62' ' ' ASP . 40.2 t -46.39 -48.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.737 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.764 HD12 HD21 ' A' ' 77' ' ' LEU . 12.1 mt -69.44 -27.34 65.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.154 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.595 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -59.85 -37.53 79.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 110.753 179.803 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -72.73 -22.06 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.278 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.921 HD12 ' HB3' ' A' ' 54' ' ' LYS . 19.5 mm -63.91 134.26 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.16 131.14 50.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.04 -35.1 4.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.852 HG22 ' CE1' ' A' ' 47' ' ' PHE . 23.6 t -84.58 114.66 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.339 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.8 p -108.83 -178.15 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.24 -28.41 69.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -79.67 -45.58 18.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.019 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -57.95 -40.66 81.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.764 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -77.37 -11.84 59.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.277 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -86.46 -38.8 16.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.705 0.288 . . . . 0.0 111.408 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.403 ' HE2' ' CE1' ' A' ' 80' ' ' TYR . 7.9 ptmt -96.12 -48.69 5.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.577 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.831 ' O ' HG22 ' A' ' 84' ' ' VAL . 24.6 m-85 -80.21 -28.17 38.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 111.28 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.418 ' HA3' HD13 ' A' ' 77' ' ' LEU . . . -46.82 -46.76 19.19 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.001 -0.618 . . . . 0.0 113.036 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.72 -25.05 62.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.712 0.291 . . . . 0.0 111.289 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.854 ' OE1' HG23 ' A' ' 31' ' ' VAL . 2.4 mm-40 -96.25 -61.34 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.226 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.831 HG22 ' O ' ' A' ' 80' ' ' TYR . 0.4 OUTLIER -49.24 -55.83 3.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.759 0.314 . . . . 0.0 111.522 -179.758 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.566 HD11 HD11 ' A' ' 77' ' ' LEU . 26.4 mt -58.22 -27.49 32.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.245 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -33.95 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.026 0.441 . . . . 0.0 110.401 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.518 HG11 ' HB3' ' A' ' 27' ' ' GLU . 12.1 t -90.7 -19.91 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.476 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.774 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -85.35 -20.23 30.25 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.217 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.2 -33.07 18.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.033 0.444 . . . . 0.0 110.701 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -44.34 91.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.776 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.774 ' HD2' HD23 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -62.4 -37.57 86.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.43 179.741 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -57.14 -30.0 64.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.786 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.053 179.939 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.736 ' O ' HG13 ' A' ' 21' ' ' VAL . 1.8 ptp85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.796 0.331 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -80.98 -28.66 35.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.46 -40.03 27.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.957 ' HB3' HD11 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -63.77 -46.22 86.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.754 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 16.5 m -61.0 -44.65 98.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.898 0.38 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.488 ' N ' HG23 ' A' ' 21' ' ' VAL . 31.9 mmtm -61.58 -41.15 97.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.558 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -30.01 68.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.736 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 t -67.87 -37.59 82.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.502 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.51 -43.92 96.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.24 -42.0 24.78 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.839 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.535 ' HB3' HG11 ' A' ' 87' ' ' VAL . 1.1 mm-40 -60.77 -52.7 63.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.863 0.363 . . . . 0.0 110.977 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.501 HD22 HG12 ' A' ' 84' ' ' VAL . 16.1 mt -58.04 -29.35 65.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.953 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.711 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 88.9 m -60.8 -43.21 98.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.524 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.22 -58.88 6.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.635 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.531 HG23 ' HG3' ' A' ' 83' ' ' GLU . 4.4 p -53.21 -36.66 26.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.048 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.1 m -58.36 -53.33 59.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.732 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HE2' ' CD2' ' A' ' 43' ' ' TYR . 19.4 mttt -62.41 -44.02 97.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.754 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -25.24 56.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.986 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.892 HD11 ' HB3' ' A' ' 83' ' ' GLU . 52.6 mt -86.28 -28.85 23.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.431 ' HA2' HG22 ' A' ' 41' ' ' VAL . . . -79.4 -28.22 53.08 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.674 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HD2' HG13 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -74.07 -27.99 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.059 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.418 HG13 ' HD2' ' A' ' 37' ' ' LYS . 11.0 m -86.55 -35.3 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.259 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -90.61 -26.21 19.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.09 24.37 19.84 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.714 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.431 HG22 ' HA2' ' A' ' 36' ' ' GLY . 31.3 m -111.58 144.17 19.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.773 0.32 . . . . 0.0 110.982 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -59.45 160.15 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.056 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.711 ' CZ ' HG23 ' A' ' 29' ' ' THR . 5.2 t80 -57.08 -45.34 83.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.773 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.28 -26.8 68.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -58.51 -33.86 70.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.472 HD12 ' CE1' ' A' ' 80' ' ' TYR . 31.9 mm -68.9 -67.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.133 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.719 ' CE2' HG11 ' A' ' 84' ' ' VAL . 8.7 m-30 -138.53 172.71 12.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.413 ' HB3' HG22 ' A' ' 50' ' ' VAL . 1.4 m-20 -116.71 165.27 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.766 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.459 ' HA ' HD12 ' A' ' 52' ' ' LEU . 9.4 m -52.25 -29.64 23.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' A' ' 48' ' ' ASN . 6.4 m -74.56 -29.82 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.228 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.537 HG21 ' CG ' ' A' ' 47' ' ' PHE . 99.5 m -74.25 -50.87 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 49' ' ' THR . 2.2 mt -57.15 -47.33 81.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -59.37 -36.76 76.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.765 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.565 ' HG2' HG23 ' A' ' 69' ' ' ILE . 5.1 tptp -67.19 -57.24 7.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.68 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.595 HD21 ' CD1' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -59.4 -20.33 54.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.392 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.754 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -78.9 -53.88 6.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.707 0.289 . . . . 0.0 110.989 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.14 -40.69 86.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.625 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.3 t -63.94 -51.01 66.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.751 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.957 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER 65.98 41.77 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.771 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -139.25 148.15 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.73 84.79 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.852 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.588 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -125.13 156.97 68.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.637 179.706 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -86.99 -49.2 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.533 2.155 . . . . 0.0 112.867 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -35.18 69.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.588 HG23 ' HB3' ' A' ' 62' ' ' ASP . 39.1 t -59.82 -31.31 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.769 HD12 HD21 ' A' ' 77' ' ' LEU . 41.3 mt -83.69 -19.52 35.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.364 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.648 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -68.3 -36.28 79.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.896 0.379 . . . . 0.0 110.605 179.69 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -78.57 -15.73 58.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.597 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.565 HG23 ' HG2' ' A' ' 54' ' ' LYS . 22.9 mm -63.69 154.01 6.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.875 0.369 . . . . 0.0 111.063 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.419 ' N ' HG22 ' A' ' 69' ' ' ILE . 1.8 t70 -74.41 132.74 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.32 -3.17 82.66 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.899 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.507 ' CG2' HG23 ' A' ' 51' ' ' THR . 14.7 t -104.09 142.74 17.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.8 0.333 . . . . 0.0 111.032 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -137.48 178.74 6.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.402 ' CG ' HD21 ' A' ' 67' ' ' LEU . 7.5 mt-10 -63.88 -44.34 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -59.6 -42.65 93.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -65.12 -38.95 92.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.769 HD21 HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -81.43 -12.62 58.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.377 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -91.13 -36.78 13.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.752 0.311 . . . . 0.0 110.936 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.33 -58.14 2.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.683 ' O ' HG22 ' A' ' 84' ' ' VAL . 16.7 m-85 -76.84 -24.96 52.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.282 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.4 -48.33 21.63 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.802 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.65 -22.17 44.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.692 0.282 . . . . 0.0 111.343 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.892 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.13 -62.6 1.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.138 -179.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.719 HG11 ' CE2' ' A' ' 47' ' ' PHE . 1.3 m -48.35 -55.51 2.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.422 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.598 HD11 HD11 ' A' ' 77' ' ' LEU . 13.1 mt -57.56 -28.1 30.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.178 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.75 -32.74 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.113 0.483 . . . . 0.0 110.376 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.535 HG11 ' HB3' ' A' ' 27' ' ' GLU . 14.9 t -90.46 -19.66 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.308 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.787 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -86.89 -18.22 31.37 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.28 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -50.87 -36.85 40.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.789 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -62.33 -45.86 91.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.787 ' HD2' HD23 ' A' ' 88' ' ' LEU . 1.4 m-30 -57.21 -42.34 81.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.765 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.5 t -55.73 -30.97 62.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.79 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.778 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.706 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.727 0.299 . . . . 0.0 111.049 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.607 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -59.6 -65.1 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.032 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -59.27 -20.57 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.438 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -71.68 -42.54 67.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.237 -179.769 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.758 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 2.9 m -67.8 -31.71 53.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.371 . . . . 0.0 111.412 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -68.43 -46.37 70.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.722 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -57.97 -26.77 62.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.562 ' HB2' HD21 ' A' ' 59' ' ' LEU . 42.5 t -72.88 -36.27 67.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.034 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.9 -42.19 98.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.898 0.38 . . . . 0.0 110.68 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.0 -40.93 15.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.706 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.466 ' HB3' HG11 ' A' ' 87' ' ' VAL . 37.8 mt-10 -62.22 -54.23 43.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.881 0.372 . . . . 0.0 111.011 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.452 ' HA ' HG12 ' A' ' 31' ' ' VAL . 13.5 mt -58.44 -29.34 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.067 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.614 HG23 ' OH ' ' A' ' 43' ' ' TYR . 42.8 m -61.71 -37.34 83.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.415 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -66.37 -57.63 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.779 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.751 HG23 ' OE1' ' A' ' 83' ' ' GLU . 6.7 p -55.31 -33.4 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.035 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -58.38 -59.02 6.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.76 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -56.7 -48.4 77.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.28 -28.76 55.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.751 HD21 ' HG3' ' A' ' 83' ' ' GLU . 15.6 mt -79.22 -29.38 42.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.77 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.418 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -75.31 -25.3 68.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.557 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -29.77 46.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 111.008 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 m -86.01 -33.35 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.305 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 79' ' ' LYS . 21.7 m-85 -88.65 -27.03 21.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.08 27.37 12.39 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.583 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.418 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 12.3 m -116.93 175.06 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.968 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -89.63 162.19 15.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.091 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.614 ' OH ' HG23 ' A' ' 29' ' ' THR . 8.4 t80 -53.83 -49.06 69.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.836 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.45 -26.67 68.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.51 -31.49 71.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.04 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.42 HD12 ' CE1' ' A' ' 80' ' ' TYR . 28.3 mm -66.51 -67.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.056 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.713 ' HE2' HG11 ' A' ' 84' ' ' VAL . 8.7 m-30 -138.36 170.34 16.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -110.67 165.42 11.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.813 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.5 m -53.79 -29.3 39.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.0 m -75.69 -30.29 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.228 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.527 HG21 ' CG ' ' A' ' 47' ' ' PHE . 98.2 m -71.23 -54.58 10.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.4 mt -54.65 -51.2 66.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -58.9 -27.93 65.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.05 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.804 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -76.22 -60.18 2.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.982 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.767 HD21 HD22 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -55.35 -23.51 24.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.365 179.658 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.758 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -81.19 -46.4 14.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.29 -32.95 62.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.3 m -86.35 -48.15 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.747 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.1 OUTLIER 64.32 50.29 2.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.005 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.06 124.64 19.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.635 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.42 84.45 3.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.997 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.532 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.9 m-20 -125.69 151.58 70.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.63 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -86.96 -46.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.926 2.417 . . . . 0.0 112.838 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -37.01 51.31 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.2 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.532 HG23 ' HB3' ' A' ' 62' ' ' ASP . 62.1 t -52.57 -26.03 9.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.983 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.967 HD12 HD21 ' A' ' 77' ' ' LEU . 2.8 mt -83.53 -35.29 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.548 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.95 -40.06 56.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -71.98 -23.44 61.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.894 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.804 HD12 ' HB3' ' A' ' 54' ' ' LYS . 32.7 mm -63.97 147.97 11.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.05 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.69 129.3 38.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.29 -35.03 4.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.571 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.518 ' CG2' HG23 ' A' ' 51' ' ' THR . 19.6 t -81.02 129.63 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 111.162 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.96 -176.3 3.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -28.4 66.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -81.45 -47.18 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.051 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -57.76 -32.47 67.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.967 HD21 HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -85.2 -13.62 49.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.369 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -30.96 17.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 15.8 ptmt -96.67 -39.67 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.52 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.797 ' O ' HG22 ' A' ' 84' ' ' VAL . 29.5 m-85 -95.99 -27.88 14.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.748 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.412 ' HA3' HD13 ' A' ' 77' ' ' LEU . . . -46.86 -28.19 3.7 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.177 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.76 -27.39 60.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.758 0.313 . . . . 0.0 111.232 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.751 ' HG3' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.22 -57.08 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.797 HG22 ' O ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -47.62 -58.09 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.803 0.335 . . . . 0.0 111.09 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.444 ' H ' HG23 ' A' ' 84' ' ' VAL . 29.5 mt -55.46 -25.03 16.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.7 t -61.2 -33.63 73.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.012 0.434 . . . . 0.0 110.31 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 27' ' ' GLU . 13.3 t -90.53 -19.8 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.322 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.708 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -85.75 -19.16 31.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.859 -179.436 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -51.12 -29.45 13.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.825 0.345 . . . . 0.0 111.236 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -71.1 -32.78 69.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.708 ' HD2' HD23 ' A' ' 88' ' ' LEU . 4.5 m-30 -66.29 -53.08 40.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.057 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 m -56.26 -28.05 57.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.049 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.425 ' O ' HG13 ' A' ' 21' ' ' VAL . 7.7 tmm_? . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.725 0.298 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -66.57 -41.81 88.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -78.84 -23.56 44.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.45 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -71.58 -43.72 65.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.147 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.718 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 21.0 m -68.93 -45.03 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.896 0.379 . . . . 0.0 111.303 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.491 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -60.38 -43.74 96.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.754 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -56.62 -31.08 63.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.903 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.526 ' HB2' HD21 ' A' ' 59' ' ' LEU . 12.7 t -68.51 -34.05 75.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.702 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -39.86 93.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.433 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.65 -44.42 10.62 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.667 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.564 ' HB3' HG11 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -60.65 -50.71 72.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.718 0.294 . . . . 0.0 111.013 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.65 -33.63 70.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.3 m -57.32 -43.5 83.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.617 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.21 -61.36 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.584 HG23 ' HG3' ' A' ' 83' ' ' GLU . 3.3 p -49.91 -38.37 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.305 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.9 m -57.46 -56.66 18.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -61.1 -44.5 97.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.6 t -54.09 -28.48 39.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.868 HD11 ' HB3' ' A' ' 83' ' ' GLU . 54.0 mt -83.11 -28.71 29.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.406 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -74.48 -20.72 79.5 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.807 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -26.98 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 111.217 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.403 HG23 ' CD2' ' A' ' 39' ' ' PHE . 16.6 m -90.55 -29.23 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.352 . . . . 0.0 111.402 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.438 ' CE1' ' HE3' ' A' ' 79' ' ' LYS . 32.8 m-85 -96.13 -27.02 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.12 27.1 12.71 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.727 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.406 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 15.3 m -115.97 155.38 17.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.79 0.329 . . . . 0.0 111.065 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.46 162.04 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.048 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -56.29 -55.82 28.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.797 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.98 -24.28 62.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -57.49 -30.59 65.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.416 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 24.1 mm -72.71 -67.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.816 ' CE2' HG11 ' A' ' 84' ' ' VAL . 7.3 m-30 -139.41 166.3 24.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -109.27 165.5 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.759 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 m -49.74 -40.69 41.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.103 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.0 m -66.38 -28.65 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.094 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.698 HG21 ' CG ' ' A' ' 47' ' ' PHE . 97.3 m -72.86 -56.04 5.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.0 mt -55.13 -49.34 72.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.62 -29.26 64.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 110.743 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.584 ' HG2' HG23 ' A' ' 69' ' ' ILE . 2.4 tptt -73.82 -59.41 2.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.726 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.598 HD21 ' CD1' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -57.73 -21.56 41.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.412 179.709 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.718 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -80.21 -48.91 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 111.022 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -54.87 -46.93 74.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -72.99 -48.13 39.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.543 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.0 OUTLIER 64.3 51.0 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.428 ' O ' HD22 ' A' ' 88' ' ' LEU . 1.7 p -139.07 146.39 40.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.625 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.69 84.35 2.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.971 0.415 . . . . 0.0 111.152 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.547 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 43.7 m-20 -125.9 156.21 71.83 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.425 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -81.58 -52.26 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.716 2.277 . . . . 0.0 112.533 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.64 -40.83 76.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.479 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.4 t -54.57 -26.27 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.882 0.372 . . . . 0.0 111.401 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.755 HD12 HD21 ' A' ' 77' ' ' LEU . 18.0 mt -88.72 -24.89 22.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.335 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.561 HD21 ' HG2' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -65.03 -37.57 88.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.911 0.386 . . . . 0.0 111.008 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -75.05 -16.65 60.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.459 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.584 HG23 ' HG2' ' A' ' 54' ' ' LYS . 27.3 mm -63.8 150.38 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 111.133 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -73.05 127.21 31.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.55 -31.09 7.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.586 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.555 ' CG2' HG23 ' A' ' 51' ' ' THR . 17.7 t -79.62 143.66 12.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.811 0.339 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.48 -177.39 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.561 ' HG2' HD21 ' A' ' 67' ' ' LEU . 56.7 mt-10 -67.31 -32.08 72.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -73.23 -40.23 64.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -68.56 -37.24 79.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.755 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -80.97 -15.9 54.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.209 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -90.46 -35.62 15.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.799 0.333 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.438 ' HE3' ' CE1' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -96.22 -58.2 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.255 -179.72 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.716 ' O ' HG22 ' A' ' 84' ' ' VAL . 24.9 m-85 -78.88 -24.27 44.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.441 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.19 -27.23 7.13 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.685 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.88 -25.54 60.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.826 0.346 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.868 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -95.85 -58.46 2.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.816 HG11 ' CE2' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -50.62 -54.04 10.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.341 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.501 HD11 HD11 ' A' ' 77' ' ' LEU . 25.8 mt -59.96 -27.63 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.128 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 t -58.73 -32.21 69.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.912 0.387 . . . . 0.0 110.461 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.564 HG11 ' HB3' ' A' ' 27' ' ' GLU . 14.4 t -90.39 -19.76 7.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.375 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.744 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -85.4 -21.46 28.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.861 -179.302 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -34.67 27.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 0.0 111.169 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -64.67 -41.17 96.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.744 ' HD2' HD23 ' A' ' 88' ' ' LEU . 3.2 m-30 -57.44 -49.74 75.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -30.97 60.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.027 179.846 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.819 0.342 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -61.13 -45.08 96.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.94 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.86 -25.15 59.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.918 ' HB3' HD11 ' A' ' 59' ' ' LEU . 76.9 mmm -73.75 -50.43 20.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.2 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.74 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 35.7 m -58.5 -40.7 79.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.863 0.363 . . . . 0.0 111.264 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' N ' HG23 ' A' ' 21' ' ' VAL . 23.0 mmtt -60.27 -44.68 95.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.015 0.436 . . . . 0.0 110.691 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -58.27 -33.69 69.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.643 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.64 -37.61 87.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.519 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.08 -35.96 80.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.658 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.74 -54.2 4.67 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.604 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.554 ' HB3' HG11 ' A' ' 87' ' ' VAL . 22.4 mt-10 -56.73 -34.02 67.11 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.915 0.388 . . . . 0.0 110.985 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' HA ' ' CG1' ' A' ' 31' ' ' VAL . 15.0 mt -73.1 -21.32 60.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.829 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.878 HG23 ' OH ' ' A' ' 43' ' ' TYR . 59.3 m -68.82 -54.84 13.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.743 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 1.2 pp20? -56.9 -48.85 77.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.174 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.486 ' CG1' ' HA ' ' A' ' 28' ' ' LEU . 2.9 p -56.44 -41.99 73.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.776 0.322 . . . . 0.0 110.7 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.6 m -60.07 -48.12 83.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.83 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 69.9 mttt -61.54 -48.46 80.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t -56.18 -38.84 71.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.779 HD21 ' HG3' ' A' ' 83' ' ' GLU . 53.5 mt -63.57 -35.63 81.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.801 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.453 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -71.86 -23.48 77.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.655 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -79.99 -28.47 39.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.655 0.264 . . . . 0.0 111.035 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.1 m -92.16 -35.85 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.439 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 79' ' ' LYS . 25.2 m-85 -85.32 -27.12 26.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.059 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.88 33.87 7.15 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.733 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.453 HG23 ' HA2' ' A' ' 36' ' ' GLY . 4.3 m -123.98 168.17 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.733 0.301 . . . . 0.0 111.095 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -80.47 162.07 24.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.123 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.878 ' OH ' HG23 ' A' ' 29' ' ' THR . 13.0 t80 -61.48 -25.26 67.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.764 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.65 15.04 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.41 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -100.83 -29.37 12.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.721 0.296 . . . . 0.0 110.799 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.456 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 28.0 mm -70.31 -67.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.821 ' CE2' HG11 ' A' ' 84' ' ' VAL . 11.5 m-30 -139.99 156.79 46.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.664 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -96.26 165.27 12.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.789 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.9 m -50.76 -39.68 52.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.7 p -73.14 -29.3 28.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.954 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.554 HG21 ' CD1' ' A' ' 47' ' ' PHE . 91.5 m -70.68 -48.95 52.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.28 -49.01 75.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.189 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -57.26 -31.31 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.834 ' HB3' HD12 ' A' ' 69' ' ' ILE . 2.0 mptt -64.07 -55.98 18.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.511 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.996 HD23 HD11 ' A' ' 88' ' ' LEU . 10.9 mp -55.72 -23.78 30.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.943 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.74 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -81.32 -63.38 1.41 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.453 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -47.01 -29.66 2.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.255 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.1 m -79.63 -45.23 19.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.918 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER 62.44 30.37 17.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.991 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.2 m -139.11 127.89 23.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.831 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.41 ' CB ' HG23 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -88.02 84.77 6.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.793 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.547 ' O ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -125.29 144.71 48.4 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.964 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 2.9 Cg_exo -74.31 -54.81 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.611 2.207 . . . . 0.0 111.895 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -39.39 80.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.435 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.501 HG23 ' HB3' ' A' ' 62' ' ' ASP . 36.0 t -69.19 -32.43 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.49 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.706 HD21 ' HG ' ' A' ' 55' ' ' LEU . 17.3 mt -76.36 -29.23 57.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.768 HD21 ' HG3' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -66.13 -37.17 85.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.807 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -71.91 -9.68 58.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.409 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.834 HD12 ' HB3' ' A' ' 54' ' ' LYS . 17.5 mm -64.83 139.64 21.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.771 0.319 . . . . 0.0 110.95 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.66 109.94 3.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.777 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.96 -28.33 11.39 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.47 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.491 ' CG2' HG23 ' A' ' 51' ' ' THR . 24.8 t -82.99 128.03 39.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 111.136 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.71 -179.27 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.768 ' HG3' HD21 ' A' ' 67' ' ' LEU . 10.9 mp0 -60.5 -49.09 78.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.787 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -58.62 -36.21 73.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -73.78 -33.3 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.675 HD11 HD11 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -86.12 -15.96 39.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.281 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -91.42 -29.66 16.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 1.3 ttpt -96.36 -58.21 2.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.374 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.658 ' O ' HG22 ' A' ' 84' ' ' VAL . 27.7 m-85 -83.01 -26.72 30.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.483 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.451 ' HA3' HD13 ' A' ' 77' ' ' LEU . . . -47.28 -27.72 4.07 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.949 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.4 -27.97 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.758 0.313 . . . . 0.0 111.211 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.779 ' HG3' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.21 -59.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.272 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.821 HG11 ' CE2' ' A' ' 47' ' ' PHE . 2.3 m -49.08 -52.99 8.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.755 0.312 . . . . 0.0 111.339 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.675 HD11 HD11 ' A' ' 77' ' ' LEU . 17.4 mt -63.94 -33.09 59.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.21 -29.6 46.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.072 0.463 . . . . 0.0 110.384 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.554 HG11 ' HB3' ' A' ' 27' ' ' GLU . 5.4 t -90.59 -19.93 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.376 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.996 HD11 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -87.6 -17.85 31.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.086 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -50.88 -36.35 37.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.0 0.429 . . . . 0.0 110.818 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -62.26 -46.94 86.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.782 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.655 ' HD2' HD23 ' A' ' 88' ' ' LEU . 1.2 m-85 -59.23 -38.34 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.64 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 t -57.41 -28.95 63.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.783 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 179.773 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.527 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.853 0.358 . . . . 0.0 111.041 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -58.3 -42.42 86.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -79.2 -29.59 42.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.471 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 78.2 mmm -65.99 -47.57 74.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.743 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 11.2 m -65.35 -43.23 94.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.945 0.403 . . . . 0.0 111.289 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 21' ' ' VAL . 1.4 mmtm -59.39 -42.7 92.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.768 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.71 -29.81 65.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.874 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.505 ' HB2' HD21 ' A' ' 59' ' ' LEU . 18.7 t -69.9 -33.52 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -39.61 95.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.899 0.38 . . . . 0.0 110.411 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.64 -43.81 9.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.553 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.555 ' HB3' HG11 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -60.51 -50.65 72.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.431 HD22 HG12 ' A' ' 84' ' ' VAL . 14.2 mt -59.5 -32.07 69.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.471 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 75.0 m -59.17 -36.13 74.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.382 . . . . 0.0 110.484 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -68.14 -60.95 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.944 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.667 HG23 ' HG3' ' A' ' 83' ' ' GLU . 5.3 p -52.45 -35.8 20.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.216 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -57.68 -49.33 76.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.699 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.414 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 8.3 mttt -65.46 -46.18 80.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -55.32 -24.01 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.039 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.889 HD11 ' HB3' ' A' ' 83' ' ' GLU . 59.7 mt -87.27 -29.75 21.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.838 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.41 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -75.85 -26.54 64.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.628 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -28.36 43.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.813 0.34 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.5 m -86.87 -34.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.222 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 79' ' ' LYS . 20.6 m-85 -88.11 -26.39 22.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.22 27.99 11.35 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.613 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.41 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 9.9 m -118.52 163.25 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 111.013 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -78.26 162.16 26.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.993 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.471 ' CZ ' HG23 ' A' ' 29' ' ' THR . 9.8 t80 -58.6 -34.15 70.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.782 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -80.59 -1.84 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.546 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.08 -30.73 22.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.78 0.324 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.486 HD12 ' CE1' ' A' ' 80' ' ' TYR . 35.8 mm -68.33 -67.39 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.746 ' HE2' HG11 ' A' ' 84' ' ' VAL . 11.0 m-30 -137.86 157.32 46.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.711 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -90.86 165.06 13.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.4 m -56.24 -37.96 70.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.85 -25.79 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.268 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 m -73.4 -44.45 58.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.0 mt -59.54 -48.12 82.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -59.68 -31.1 69.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.863 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -68.99 -60.14 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.746 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.925 HD21 HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -55.38 -23.0 22.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.324 179.625 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.743 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -81.24 -47.21 13.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.978 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.75 -30.53 61.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.8 p -85.49 -50.3 7.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER 62.32 48.28 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.98 124.96 19.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.682 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.99 84.45 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 111.085 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.548 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -125.55 155.99 71.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.332 179.446 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -88.09 -48.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.647 2.232 . . . . 0.0 112.889 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -76.59 -33.83 58.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.39 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.548 HG23 ' HB3' ' A' ' 62' ' ' ASP . 53.5 t -57.0 -23.73 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.286 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.925 HD13 HD21 ' A' ' 55' ' ' LEU . 1.7 mt -91.17 -43.68 9.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.958 0.409 . . . . 0.0 110.634 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.754 HD23 ' O ' ' A' ' 67' ' ' LEU . 3.9 tt -49.83 -38.47 35.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.355 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -71.17 -20.14 62.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.863 HD12 ' HB3' ' A' ' 54' ' ' LYS . 31.4 mm -65.63 134.8 29.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.688 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -53.99 110.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.073 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.23 -27.0 7.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.678 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 t -85.15 148.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.16 -177.06 5.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -68.31 -19.07 64.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.252 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -90.13 -47.22 7.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.767 0.318 . . . . 0.0 111.192 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -57.24 -41.84 80.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.131 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.88 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -76.26 -11.37 59.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.377 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -87.13 -46.3 9.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.665 0.269 . . . . 0.0 111.526 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 7.7 ptmt -91.37 -46.69 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.596 -179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.794 ' O ' HG22 ' A' ' 84' ' ' VAL . 19.8 m-85 -82.67 -25.12 33.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.273 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.76 -47.87 24.21 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.778 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.37 -23.59 57.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 111.262 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.889 ' HB3' HD11 ' A' ' 35' ' ' LEU . 2.0 tp10 -95.38 -61.95 1.38 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.159 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -47.96 -58.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.276 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.458 HD11 HD11 ' A' ' 77' ' ' LEU . 11.4 mt -55.47 -28.55 22.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.12 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -33.52 67.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.96 0.41 . . . . 0.0 110.297 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.555 HG11 ' HB3' ' A' ' 27' ' ' GLU . 13.6 t -90.82 -19.67 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.415 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 84' ' ' VAL . 0.5 OUTLIER -85.73 -15.31 42.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.928 -179.437 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -57.08 -32.22 66.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.939 0.4 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -67.18 -25.17 66.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.382 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.534 ' CE2' ' HA ' ' A' ' 88' ' ' LEU . 2.6 m-30 -78.07 -38.48 44.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.743 0.306 . . . . 0.0 111.171 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.4 t -63.84 -29.16 70.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.476 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.766 0.317 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.03 -36.5 75.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.013 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.98 -29.19 55.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.026 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.952 ' HB3' HD11 ' A' ' 59' ' ' LEU . 83.1 mmm -73.7 -48.77 29.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.989 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.715 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 32.7 m -57.85 -42.91 83.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.885 0.374 . . . . 0.0 111.048 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' HG23 ' A' ' 21' ' ' VAL . 5.6 mmpt? -62.59 -41.27 98.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.653 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -30.45 69.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.75 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.412 ' HG ' ' HE2' ' A' ' 91' ' ' TYR . 10.3 t -66.24 -38.17 87.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.567 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.1 -43.03 99.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.24 -47.04 13.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.854 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.581 ' HB3' HG11 ' A' ' 87' ' ' VAL . 31.4 mt-10 -58.73 -51.88 68.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.324 . . . . 0.0 111.125 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.484 HD21 ' CD1' ' A' ' 88' ' ' LEU . 13.3 mt -56.74 -32.26 65.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.796 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 85.3 m -59.64 -40.74 88.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.887 0.375 . . . . 0.0 110.469 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -61.31 -59.32 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.742 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.556 HG23 ' HG3' ' A' ' 83' ' ' GLU . 3.7 p -54.04 -36.61 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.925 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.5 m -58.56 -55.15 38.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -57.47 -48.44 79.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.049 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -55.34 -27.66 48.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.853 HD11 ' HB3' ' A' ' 83' ' ' GLU . 31.6 mt -82.03 -29.47 31.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -76.32 -24.79 67.46 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.749 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -78.32 -30.53 48.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.804 0.335 . . . . 0.0 111.002 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.1 m -80.08 -34.77 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.283 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.412 ' CE1' ' HD2' ' A' ' 79' ' ' LYS . 30.3 m-85 -90.46 -26.82 19.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.19 26.32 14.45 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.532 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.42 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 30.2 m -111.69 175.08 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.021 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -87.9 161.88 17.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.02 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.796 ' CZ ' HG23 ' A' ' 29' ' ' THR . 11.6 t80 -56.65 -35.53 68.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.761 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -73.19 -27.74 61.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -58.35 -38.83 78.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.475 HD12 ' CE1' ' A' ' 80' ' ' TYR . 33.5 mm -65.59 -67.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.955 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.754 ' CE2' HG11 ' A' ' 84' ' ' VAL . 6.2 m-30 -139.9 151.92 46.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.716 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -97.27 165.3 12.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.757 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.9 m -51.47 -30.64 20.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.2 m -71.21 -30.47 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.271 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.725 HG21 ' CG ' ' A' ' 47' ' ' PHE . 87.2 m -72.17 -58.36 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mt -51.24 -49.69 60.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.322 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -58.29 -36.5 73.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.809 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.533 ' CG ' HD12 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -67.31 -60.06 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.803 179.751 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.741 HD23 HD21 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -56.42 -22.45 31.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.587 179.775 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.715 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -74.37 -53.6 9.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.709 0.29 . . . . 0.0 111.051 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -45.25 87.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -53.75 53.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.952 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER 67.05 42.06 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 m -139.27 139.22 37.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.401 ' HB2' HG23 ' A' ' 85' ' ' ILE . 11.1 p -95.52 84.47 3.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.831 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.545 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -125.4 156.81 69.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.83 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -88.49 -48.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 122.673 2.249 . . . . 0.0 112.735 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -40.54 70.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 110.826 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.545 HG23 ' HB3' ' A' ' 62' ' ' ASP . 32.1 t -54.96 -27.19 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.895 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.754 HD12 HD21 ' A' ' 77' ' ' LEU . 56.2 mt -88.81 -23.89 22.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.323 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.777 HD21 ' HG2' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -61.97 -36.45 81.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.933 0.396 . . . . 0.0 110.695 179.666 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -78.24 -18.47 55.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.481 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.533 HD12 ' CG ' ' A' ' 54' ' ' LYS . 17.5 mm -63.65 144.1 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.93 0.395 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.26 128.14 35.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.0 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.56 -25.6 23.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.747 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.568 HG22 ' CE1' ' A' ' 47' ' ' PHE . 21.9 t -93.56 117.75 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 111.089 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.1 p -106.05 -171.0 1.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.777 ' HG2' HD21 ' A' ' 67' ' ' LEU . 3.5 mt-10 -70.52 -45.23 65.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.9 -31.16 71.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.04 -37.77 78.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.754 HD21 HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -82.22 -15.99 51.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.347 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.1 -30.35 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.848 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.412 ' HD2' ' CE1' ' A' ' 39' ' ' PHE . 27.1 ttpt -96.7 -57.71 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.233 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.65 ' O ' HG22 ' A' ' 84' ' ' VAL . 25.4 m-85 -80.02 -24.57 40.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.511 -179.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.52 -33.07 11.24 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.76 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.93 -24.43 65.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.32 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.853 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.15 -61.76 1.39 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.129 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.754 HG11 ' CE2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -47.96 -58.18 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.328 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.498 ' H ' HG23 ' A' ' 84' ' ' VAL . 19.3 mt -54.54 -25.99 15.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -34.8 75.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.023 0.439 . . . . 0.0 110.132 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.581 HG11 ' HB3' ' A' ' 27' ' ' GLU . 19.5 t -90.89 -22.52 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.412 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.741 HD21 HD23 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -78.99 -27.51 43.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.627 -179.48 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -47.33 -30.66 3.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.955 0.407 . . . . 0.0 111.161 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -68.06 -46.6 70.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.518 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.488 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 1.1 m-30 -58.93 -39.42 81.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.661 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.76 -27.27 67.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.701 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 179.894 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.767 0.318 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -60.05 -39.73 86.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.69 -32.24 62.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.778 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -52.74 62.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.956 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 56' ' ' ALA . 4.5 m -63.21 -35.11 70.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.85 0.357 . . . . 0.0 111.083 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -62.53 -57.83 9.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.577 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -57.2 -28.44 62.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.664 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.429 ' HA ' ' OH ' ' A' ' 91' ' ' TYR . 25.6 t -64.6 -44.83 89.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.575 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -58.47 -33.65 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.673 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.01 -47.42 8.48 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.562 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.523 ' HB3' HG11 ' A' ' 87' ' ' VAL . 3.0 mt-10 -59.64 -51.96 67.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.791 0.329 . . . . 0.0 110.974 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.596 HD21 ' CD1' ' A' ' 88' ' ' LEU . 13.3 mt -56.52 -33.66 66.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.804 HG23 ' OH ' ' A' ' 43' ' ' TYR . 80.5 m -60.12 -31.89 70.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.36 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.0 -58.36 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.608 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.624 HG23 ' HG3' ' A' ' 83' ' ' GLU . 5.6 p -55.95 -34.14 37.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.1 m -57.12 -48.66 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.634 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HE2' ' CD2' ' A' ' 43' ' ' TYR . 11.1 mttt -66.88 -42.4 85.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.743 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.7 m -57.57 -31.62 66.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.772 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.807 HD21 ' HB2' ' A' ' 83' ' ' GLU . 59.9 mt -76.76 -27.88 55.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.538 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -73.82 -19.84 79.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.727 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -90.12 -30.34 17.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 111.229 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.8 m -85.35 -29.63 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.362 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.448 ' CZ ' ' HG2' ' A' ' 79' ' ' LYS . 35.0 m-85 -96.28 -27.11 15.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.076 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.22 34.98 6.17 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.677 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.538 HG23 ' HA2' ' A' ' 36' ' ' GLY . 4.9 m -126.27 159.75 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 111.096 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.53 162.1 27.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.804 ' OH ' HG23 ' A' ' 29' ' ' THR . 11.6 t80 -58.79 -25.15 62.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.048 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -91.48 15.32 12.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.353 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.09 -28.28 11.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.753 0.311 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.462 HD13 ' CZ ' ' A' ' 80' ' ' TYR . 28.1 mm -70.89 -67.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.738 ' HE2' HG11 ' A' ' 84' ' ' VAL . 14.7 m-30 -137.94 166.25 24.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -100.51 165.19 11.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.0 m -53.92 -45.62 71.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.63 -25.36 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.433 ' CG2' HG23 ' A' ' 72' ' ' VAL . 8.3 m -72.49 -49.61 31.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.027 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.6 mt -56.65 -48.22 78.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.024 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.569 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -57.92 -26.49 62.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.919 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.757 ' HB3' HD12 ' A' ' 69' ' ' ILE . 7.6 tptt -66.09 -57.84 6.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.793 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.063 HD21 HD13 ' A' ' 66' ' ' LEU . 1.9 mp -53.96 -25.32 20.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.272 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.659 ' O ' HG12 ' A' ' 21' ' ' VAL . . . -82.76 -51.03 8.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.304 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -47.27 -28.88 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.1 t -91.85 -45.75 8.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.879 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.2 OUTLIER 66.43 45.88 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.027 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -139.04 136.37 35.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.726 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.01 84.04 3.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.937 0.399 . . . . 0.0 111.101 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.657 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -126.07 154.44 74.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.319 179.324 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -79.73 -46.47 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.737 2.291 . . . . 0.0 112.5 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.15 -36.7 74.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.351 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.657 HG23 ' HB3' ' A' ' 62' ' ' ASP . 74.0 t -55.15 -59.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.437 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.063 HD13 HD21 ' A' ' 55' ' ' LEU . 5.8 mt -57.64 -28.27 63.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.11 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.569 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -58.91 -41.8 88.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.053 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -71.96 -17.68 62.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.395 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.757 HD12 ' HB3' ' A' ' 54' ' ' LYS . 23.5 mm -63.95 133.02 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 111.061 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -60.03 127.13 30.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.42 -28.37 15.76 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.569 HG22 ' CE1' ' A' ' 47' ' ' PHE . 25.0 t -91.47 116.92 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 111.086 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.6 p -106.61 -178.12 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.81 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -30.13 70.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -78.18 -33.86 49.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -69.01 -31.71 70.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.835 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -88.58 -16.53 32.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.15 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -91.24 -29.32 17.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.351 . . . . 0.0 111.064 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.448 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -96.52 -52.15 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.458 -179.754 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.691 ' O ' HG22 ' A' ' 84' ' ' VAL . 27.7 m-85 -88.63 -24.86 22.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.525 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -47.5 -30.51 6.27 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.812 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.99 -29.0 67.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.756 0.312 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.807 ' HB2' HD21 ' A' ' 35' ' ' LEU . 2.7 tp10 -92.87 -60.36 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.057 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.738 HG11 ' HE2' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -47.88 -63.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.21 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.592 HD11 HD11 ' A' ' 77' ' ' LEU . 26.0 mt -50.8 -26.7 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.269 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -60.37 -33.44 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.039 0.447 . . . . 0.0 110.273 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.523 HG11 ' HB3' ' A' ' 27' ' ' GLU . 16.3 t -90.66 -19.71 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.195 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.707 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -88.24 -12.82 42.63 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -179.181 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -54.42 -34.01 60.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.888 0.375 . . . . 0.0 111.106 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -67.26 -31.5 71.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.879 ' HB3' HD13 ' A' ' 59' ' ' LEU . 7.4 m-30 -65.83 -53.1 44.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.5 t -54.79 -30.25 56.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.801 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.643 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.1 ptt-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.721 0.296 . . . . 0.0 111.398 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -60.31 -40.32 90.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.055 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -81.99 -29.81 31.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.416 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -66.82 -44.28 81.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.756 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 10.2 m -68.81 -44.4 81.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.184 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -60.17 -44.43 95.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.034 0.445 . . . . 0.0 110.699 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -56.44 -30.47 62.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.708 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.522 ' HB2' HD21 ' A' ' 59' ' ' LEU . 15.4 t -69.66 -31.22 69.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.709 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -43.08 96.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.58 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.78 -43.7 14.03 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.437 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.526 ' HB3' HG11 ' A' ' 87' ' ' VAL . 4.8 mm-40 -60.26 -49.62 76.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.468 ' HA ' HG12 ' A' ' 31' ' ' VAL . 12.2 mt -59.82 -29.87 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.681 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.434 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 89.6 m -60.22 -37.24 79.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.109 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.87 -60.08 3.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.568 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.845 HG23 ' OE2' ' A' ' 83' ' ' GLU . 2.8 p -50.49 -38.12 15.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.835 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.0 m -60.16 -51.16 70.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.579 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 6.0 mttt -61.12 -50.84 71.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.804 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.2 m -53.09 -29.18 29.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' ' 83' ' ' GLU . 52.3 mt -78.47 -24.37 46.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.413 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -80.81 -27.15 51.65 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.737 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -82.18 -31.92 30.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 111.12 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.6 m -79.36 -34.43 16.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.275 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.44 ' CZ ' ' HG2' ' A' ' 79' ' ' LYS . 34.6 m-85 -95.72 -27.14 15.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.028 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.04 26.7 13.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.413 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 30.4 m -112.93 158.11 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 111.068 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -70.14 162.4 28.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.056 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.434 ' CZ ' HG23 ' A' ' 29' ' ' THR . 7.8 t80 -61.65 -47.49 85.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.756 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -64.04 -29.15 70.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.36 -30.39 69.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.416 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 34.3 mm -67.32 -67.12 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.55 ' CG ' HG21 ' A' ' 51' ' ' THR . 12.9 m-30 -137.85 177.19 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.402 ' HB3' HG22 ' A' ' 50' ' ' VAL . 6.8 t30 -121.07 165.37 15.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.808 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -50.97 -34.78 30.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.144 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.402 HG22 ' HB3' ' A' ' 48' ' ' ASN . 5.5 m -71.13 -28.53 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.55 HG21 ' CG ' ' A' ' 47' ' ' PHE . 99.3 m -73.89 -54.77 7.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.8 mt -55.57 -48.62 74.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.143 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -58.64 -36.19 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.074 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.866 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -70.13 -59.95 2.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.951 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.849 HD21 HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -55.11 -23.54 21.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.203 179.63 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.756 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -85.88 -46.68 10.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.27 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -55.07 -29.52 57.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.086 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.0 -46.39 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.823 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.528 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.0 OUTLIER 63.98 52.67 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.115 0.483 . . . . 0.0 110.853 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 t -139.13 136.67 35.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.474 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.3 p -89.16 83.99 6.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.043 0.449 . . . . 0.0 111.304 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.519 ' HB3' HG23 ' A' ' 65' ' ' VAL . 88.6 m-20 -126.19 139.54 34.73 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.323 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 5.5 Cg_exo -76.61 -48.56 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.567 2.178 . . . . 0.0 112.451 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -69.28 -37.45 77.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.397 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.519 HG23 ' HB3' ' A' ' 62' ' ' ASP . 97.9 t -53.78 -44.66 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.604 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.849 HD13 HD21 ' A' ' 55' ' ' LEU . 1.6 mt -62.98 -34.54 77.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 110.49 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.541 HD21 ' HG2' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -54.59 -40.8 69.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.146 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -71.6 -18.39 62.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.866 HD12 ' HB3' ' A' ' 54' ' ' LYS . 31.0 mm -68.84 135.86 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.22 127.96 34.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.81 -26.79 23.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.621 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.474 ' CG2' HG23 ' A' ' 51' ' ' THR . 14.4 t -89.98 139.45 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 111.111 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.2 p -132.33 178.92 6.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.541 ' HG2' HD21 ' A' ' 67' ' ' LEU . 2.2 mm-40 -61.44 -38.41 87.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -68.61 -48.09 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -31.43 72.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.778 HD21 HD12 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -85.02 -22.13 29.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -85.19 -28.79 25.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.682 0.277 . . . . 0.0 111.248 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.44 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -96.16 -51.31 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 111.323 -179.787 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.658 ' CD1' HD13 ' A' ' 35' ' ' LEU . 22.1 m-85 -83.33 -13.0 55.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.603 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.447 ' HA2' HG22 ' A' ' 84' ' ' VAL . . . -53.38 -38.44 57.48 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.779 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.26 -28.57 69.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.699 0.285 . . . . 0.0 111.35 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.845 ' OE2' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -96.37 -57.84 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.457 -179.619 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.771 ' O ' HD12 ' A' ' 88' ' ' LEU . 33.2 m -47.24 -44.92 8.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.971 0.415 . . . . 0.0 111.54 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.656 HG12 HG23 ' A' ' 84' ' ' VAL . 2.0 mm -70.06 -25.94 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.295 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.9 t -59.71 -32.72 70.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.384 . . . . 0.0 110.5 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.526 HG11 ' HB3' ' A' ' 27' ' ' GLU . 17.2 t -90.46 -29.06 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.189 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.771 HD12 ' O ' ' A' ' 84' ' ' VAL . 0.8 OUTLIER -73.58 -22.85 59.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.426 -179.55 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -54.13 -25.11 20.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.702 0.287 . . . . 0.0 111.182 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -73.35 -29.62 62.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.168 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.678 ' HD2' HD23 ' A' ' 88' ' ' LEU . 2.0 m-30 -72.32 -53.28 12.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.079 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -57.96 -22.98 51.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.338 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.385 -179.813 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.897 0.379 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -35.39 78.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.65 -31.4 65.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.9 mtp -59.45 -57.16 14.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.686 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 3.8 m -59.19 -35.07 55.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.227 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -64.28 -61.67 2.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.595 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -54.12 -28.7 41.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.576 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.4 t -63.72 -44.63 93.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.382 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -36.48 69.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.709 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.21 -41.08 22.59 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.598 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.506 ' HB3' HG11 ' A' ' 87' ' ' VAL . 35.0 mm-40 -62.22 -54.33 42.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.347 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.444 ' HA ' HG12 ' A' ' 31' ' ' VAL . 15.4 mt -57.7 -28.23 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.404 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 85.8 m -61.81 -42.75 99.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.4 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -61.0 -58.47 8.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.73 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 28' ' ' LEU . 5.1 p -53.93 -38.01 35.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.977 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.4 m -58.97 -49.28 78.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -64.02 -45.23 89.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.898 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.1 m -56.2 -33.84 65.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.703 HD13 ' CD1' ' A' ' 80' ' ' TYR . 51.9 mt -73.43 -23.9 60.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.443 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -73.99 -45.16 27.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.789 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -64.47 -22.54 66.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.69 0.281 . . . . 0.0 111.403 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.3 m -92.18 -35.64 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.538 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.536 ' O ' HG13 ' A' ' 41' ' ' VAL . 48.4 m-85 -100.41 17.48 21.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.319 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.02 25.12 9.49 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.063 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 39' ' ' PHE . 28.9 m -112.49 149.7 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.059 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -71.38 162.29 29.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.288 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.404 ' CZ ' HG23 ' A' ' 29' ' ' THR . 6.0 t80 -54.68 -53.79 50.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.971 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -25.22 63.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.067 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -59.1 -42.89 91.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.474 HD12 ' CE1' ' A' ' 80' ' ' TYR . 46.7 mm -60.69 -67.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.99 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.664 ' CE2' HG11 ' A' ' 84' ' ' VAL . 16.5 m-30 -137.11 -179.88 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -118.34 165.05 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.643 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.485 ' HA ' HD12 ' A' ' 52' ' ' LEU . 19.9 m -54.76 -41.72 70.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.17 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.9 p -73.14 -26.83 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.335 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.567 ' CG2' HG23 ' A' ' 72' ' ' VAL . 2.3 m -73.76 -48.47 31.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.119 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 49' ' ' THR . 2.6 mt -57.05 -46.17 82.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.966 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -59.83 -29.74 68.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.816 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.83 ' HB3' HD12 ' A' ' 69' ' ' ILE . 8.8 mptt -63.16 -57.58 10.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.801 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.524 ' CG ' HD22 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -57.63 -25.31 59.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.324 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.686 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -81.33 -50.02 10.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.014 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -48.65 -28.35 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.98 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.6 -44.77 8.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.726 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.881 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.2 OUTLIER 67.11 49.0 1.14 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.716 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -139.17 148.98 43.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.743 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.9 p -103.07 84.54 2.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 111.059 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.536 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 2.3 m-20 -125.63 155.11 72.8 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.805 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -89.24 -51.08 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.882 2.388 . . . . 0.0 112.806 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -40.34 78.07 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.773 0.321 . . . . 0.0 111.04 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.481 HG23 ' HB3' ' A' ' 62' ' ' ASP . 47.9 t -52.43 -26.29 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.723 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.087 HD12 HD21 ' A' ' 77' ' ' LEU . 25.5 mt -86.24 -29.68 22.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.042 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.556 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -55.41 -35.15 65.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.338 179.49 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.61 -21.53 44.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.108 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.83 HD12 ' HB3' ' A' ' 54' ' ' LYS . 17.3 mm -63.71 134.4 28.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.87 0.367 . . . . 0.0 110.961 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.47 116.78 7.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.981 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.21 -27.32 9.61 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.628 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.618 HG22 ' CE1' ' A' ' 47' ' ' PHE . 21.8 t -98.07 122.15 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 111.232 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.6 p -112.19 -177.41 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -66.62 -29.6 69.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -78.15 -34.97 49.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -71.33 -36.94 71.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.048 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.087 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -82.91 -11.85 57.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -91.15 -32.76 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.788 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.44 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -96.63 -48.28 5.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.263 -179.733 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.703 ' CD1' HD13 ' A' ' 35' ' ' LEU . 26.0 m-85 -87.29 -23.85 24.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.642 -179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.411 ' HA3' HD13 ' A' ' 77' ' ' LEU . . . -47.95 -27.09 4.74 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.949 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.58 -25.64 59.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.737 0.303 . . . . 0.0 111.164 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.627 ' CG ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.18 -58.68 2.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.263 -179.825 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.668 ' O ' HD12 ' A' ' 88' ' ' LEU . 3.1 m -48.99 -54.34 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.506 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.492 ' H ' HG23 ' A' ' 84' ' ' VAL . 23.4 mt -60.16 -26.03 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.5 t -59.98 -33.83 72.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.037 0.446 . . . . 0.0 110.322 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.506 HG11 ' HB3' ' A' ' 27' ' ' GLU . 13.8 t -90.68 -19.81 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.446 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.785 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -84.99 -21.95 29.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.759 -179.312 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -50.69 -32.66 20.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.898 0.38 . . . . 0.0 111.026 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -67.5 -30.93 70.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.881 ' HB3' HD13 ' A' ' 59' ' ' LEU . 8.2 m-30 -66.93 -53.44 31.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.8 t -54.26 -30.13 49.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.748 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.73 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.797 0.332 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.1 -29.5 61.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HA ' ' CE ' ' A' ' 22' ' ' LYS . 6.9 tt0 -75.55 -22.27 57.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.34 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.404 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 60.0 mmm -82.95 -33.05 26.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.305 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 17' ' ' ARG . 1.5 m -73.59 -46.83 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.537 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.449 ' N ' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -65.12 -40.03 93.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.776 0.322 . . . . 0.0 110.676 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -31.16 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.467 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.567 ' HB2' HD21 ' A' ' 59' ' ' LEU . 4.8 t -69.34 -34.78 75.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.51 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -40.9 93.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.764 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.23 -42.0 20.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.692 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.538 ' HB3' HG11 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -61.71 -50.95 70.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 28' ' ' LEU . 13.0 mt -59.42 -27.75 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.024 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.789 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 90.6 m -62.69 -44.03 97.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.918 0.39 . . . . 0.0 110.387 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.55 -58.11 9.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.805 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.796 HG23 ' CD ' ' A' ' 83' ' ' GLU . 3.2 p -50.94 -42.94 24.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.17 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.7 m -60.07 -49.81 76.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 27.1 mttt -59.69 -51.02 71.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.2 t -55.75 -30.57 61.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.686 HD11 ' HB3' ' A' ' 83' ' ' GLU . 52.0 mt -75.47 -26.17 57.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.824 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.427 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -80.69 -30.87 38.12 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.605 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.75 -27.35 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 0.0 110.985 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.9 m -86.81 -33.57 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.312 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CE1' ' HE2' ' A' ' 79' ' ' LYS . 24.2 m-85 -94.02 -26.64 16.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.19 26.3 14.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.705 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.427 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 16.6 m -113.36 158.39 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.92 0.391 . . . . 0.0 111.053 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -70.09 162.0 29.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.789 ' CZ ' HG23 ' A' ' 29' ' ' THR . 12.7 t80 -61.17 -34.49 75.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.794 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -76.52 -28.34 56.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.003 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -58.07 -30.84 66.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.452 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 33.7 mm -70.57 -67.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.014 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.739 ' CE2' HG11 ' A' ' 84' ' ' VAL . 9.1 m-30 -138.43 150.76 46.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' HB3' HG22 ' A' ' 50' ' ' VAL . 7.9 t30 -93.93 165.21 12.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.837 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 m -51.78 -34.8 41.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.44 HG22 ' HB3' ' A' ' 48' ' ' ASN . 6.1 m -69.88 -28.49 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.647 HG21 ' CG ' ' A' ' 47' ' ' PHE . 86.9 m -72.15 -59.18 2.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.4 mt -50.53 -47.88 57.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.223 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -35.23 74.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.746 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.919 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -67.4 -56.77 8.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.69 179.621 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.81 HD23 HD21 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -60.78 -18.86 57.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.513 179.575 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -84.91 -54.49 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.327 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.54 -29.79 27.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.127 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.2 p -89.04 -52.6 4.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.603 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.1 OUTLIER 66.31 52.42 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.058 0.456 . . . . 0.0 110.81 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.16 134.68 33.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.585 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.404 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . 0.6 OUTLIER -89.39 84.58 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.128 -179.863 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.518 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -125.69 155.1 72.98 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.681 179.433 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -88.8 -48.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.803 2.335 . . . . 0.0 112.825 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.25 -40.74 67.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.482 HG23 ' HB3' ' A' ' 62' ' ' ASP . 42.7 t -54.17 -25.89 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.794 HD12 HD21 ' A' ' 77' ' ' LEU . 29.4 mt -84.19 -29.92 26.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.807 HD21 ' HG3' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -59.91 -37.19 78.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.934 0.397 . . . . 0.0 110.861 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -75.01 -19.07 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.364 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.919 HD12 ' HB3' ' A' ' 54' ' ' LYS . 24.8 mm -63.96 137.78 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.907 0.384 . . . . 0.0 111.054 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.5 128.53 36.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.76 -27.88 14.48 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.529 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.494 ' CG2' HG23 ' A' ' 51' ' ' THR . 7.4 t -86.23 133.19 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.323 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.6 p -129.39 -178.27 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.807 ' HG3' HD21 ' A' ' 67' ' ' LEU . 2.4 mp0 -62.93 -32.32 73.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -74.17 -36.33 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.023 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -31.88 63.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.794 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -86.71 -19.88 28.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.077 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -91.26 -30.25 16.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.711 0.291 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.417 ' HE2' ' CE1' ' A' ' 39' ' ' PHE . 9.5 tttt -96.06 -58.26 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.345 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.607 ' O ' HG22 ' A' ' 84' ' ' VAL . 27.5 m-85 -83.74 -6.6 59.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.595 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.437 ' HA2' HG22 ' A' ' 84' ' ' VAL . . . -57.9 -47.64 87.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.745 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.76 -26.29 33.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.639 0.257 . . . . 0.0 111.627 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.796 ' CD ' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -96.19 -61.35 1.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.702 0.287 . . . . 0.0 111.467 -179.578 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.739 HG11 ' CE2' ' A' ' 47' ' ' PHE . 28.8 m -47.44 -45.53 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-O 120.859 0.361 . . . . 0.0 111.314 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.634 HG12 HG23 ' A' ' 84' ' ' VAL . 1.3 mm -65.94 -30.22 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.219 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -57.62 -32.21 67.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.917 0.389 . . . . 0.0 110.464 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.538 HG11 ' HB3' ' A' ' 27' ' ' GLU . 13.0 t -90.42 -22.15 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.262 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.81 HD21 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -78.77 -28.87 44.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.522 -179.638 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -49.68 -28.14 5.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -72.24 -30.3 64.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.016 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.603 ' HB3' HD13 ' A' ' 59' ' ' LEU . 3.4 m-30 -73.03 -45.17 59.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.047 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.9 m -62.26 -25.22 67.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.51 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.585 0.231 . . . . 0.0 111.438 -179.566 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.664 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.715 0.293 . . . . 0.0 110.918 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.28 -44.86 90.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.64 -24.83 53.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.43 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 78.6 mmm -70.66 -44.58 66.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.7 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 9.4 m -67.53 -38.58 80.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.395 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -51.08 68.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.996 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.07 -27.7 34.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.174 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.603 ' HB2' HD21 ' A' ' 59' ' ' LEU . 17.3 t -70.9 -38.3 72.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.099 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 53' ' ' LYS . 0.7 OUTLIER -61.49 -37.05 82.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.865 0.364 . . . . 0.0 110.729 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.79 -49.29 7.21 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.721 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.618 ' HB3' HG11 ' A' ' 87' ' ' VAL . 14.3 mm-40 -58.35 -47.35 84.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.337 . . . . 0.0 110.988 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 28' ' ' LEU . 14.1 mt -60.3 -30.91 69.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.07 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.64 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 89.0 m -59.96 -44.59 94.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.814 0.34 . . . . 0.0 110.454 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -59.56 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.815 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 28' ' ' LEU . 4.7 p -52.77 -38.36 27.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -58.0 -53.98 52.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -60.08 -46.89 88.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.927 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 m -54.61 -29.76 52.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.768 HD11 ' HB3' ' A' ' 83' ' ' GLU . 45.3 mt -81.2 -21.04 39.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.048 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.433 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -83.87 -38.08 10.84 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.766 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -22.14 60.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.722 0.296 . . . . 0.0 111.185 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m -90.51 -32.19 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.439 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -96.35 -22.06 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.175 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.4 23.4 21.83 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.77 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.433 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 29.3 m -115.07 149.46 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.72 161.81 19.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.195 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.64 ' CZ ' HG23 ' A' ' 29' ' ' THR . 7.0 t80 -56.43 -53.23 59.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.821 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.7 -26.38 65.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.987 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -36.44 72.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.999 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.454 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 34.8 mm -66.12 -67.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.065 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.689 ' CE2' HG11 ' A' ' 84' ' ' VAL . 11.8 m-30 -137.67 143.79 41.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.65 165.33 21.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.756 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m -51.28 -47.41 62.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.063 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.9 p -70.7 -21.83 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.283 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.546 HG23 HG23 ' A' ' 72' ' ' VAL . 25.6 m -73.12 -51.13 19.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.104 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.17 -51.02 71.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.036 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HA ' HD12 ' A' ' 25' ' ' LEU . 10.5 ptpt -54.27 -27.82 37.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.886 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.62 ' HB3' HD12 ' A' ' 69' ' ' ILE . 3.5 mptt -66.59 -59.07 3.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.554 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.549 ' CG ' HD22 ' A' ' 66' ' ' LEU . 1.0 OUTLIER -58.06 -21.76 47.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.286 179.345 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.7 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -79.74 -49.76 11.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.107 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.55 -33.81 64.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -83.49 -50.35 8.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER 63.96 49.12 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.903 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -139.0 124.85 19.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.729 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.59 84.7 5.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.096 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.528 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -125.39 156.16 70.61 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.593 179.703 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -88.94 -50.42 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.754 2.302 . . . . 0.0 112.953 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -39.42 67.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.721 0.296 . . . . 0.0 111.381 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.7 t -53.09 -25.31 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.848 HD12 HD21 ' A' ' 77' ' ' LEU . 25.6 mt -85.52 -30.37 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.639 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -57.51 -36.71 71.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.737 179.557 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -75.29 -21.27 58.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.62 HD12 ' HB3' ' A' ' 54' ' ' LYS . 20.6 mm -63.89 142.74 16.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.88 0.371 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -66.81 131.05 45.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.91 -34.93 4.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.575 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.546 HG23 HG23 ' A' ' 51' ' ' THR . 14.8 t -79.37 137.74 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.811 0.338 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 p -133.1 -177.6 4.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -32.63 72.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.147 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -77.36 -29.54 53.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.186 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.96 -31.44 22.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.848 HD21 HD12 ' A' ' 66' ' ' LEU . 1.1 tm? -81.54 -27.01 34.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -86.3 -23.79 26.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -96.06 -54.68 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.221 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.663 ' O ' HG22 ' A' ' 84' ' ' VAL . 24.1 m-85 -82.26 -23.84 35.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.412 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -47.04 -28.98 4.35 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.982 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.57 -27.74 64.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.74 0.305 . . . . 0.0 111.345 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.768 ' HB3' HD11 ' A' ' 35' ' ' LEU . 1.4 tp10 -95.98 -59.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.202 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.689 HG11 ' CE2' ' A' ' 47' ' ' PHE . 2.2 m -48.19 -54.29 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.429 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.466 ' H ' HG23 ' A' ' 84' ' ' VAL . 21.7 mt -58.23 -28.36 34.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -33.66 70.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.024 0.44 . . . . 0.0 110.292 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.618 HG11 ' HB3' ' A' ' 27' ' ' GLU . 14.1 t -90.66 -19.94 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.495 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.634 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -85.18 -19.16 32.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.299 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.83 -28.94 53.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.858 0.361 . . . . 0.0 111.052 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -69.96 -30.04 67.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.313 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.634 ' HD2' HD23 ' A' ' 88' ' ' LEU . 3.4 m-30 -70.95 -52.62 18.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 0.0 110.984 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.0 p -55.23 -25.94 36.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.175 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.844 0.354 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.48 -29.92 66.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -75.66 -26.97 58.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.901 ' HB3' HD11 ' A' ' 59' ' ' LEU . 73.6 mmm -74.68 -50.37 17.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.067 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.794 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 35.3 m -55.9 -43.64 75.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.888 0.375 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.449 ' N ' HG23 ' A' ' 21' ' ' VAL . 12.7 mmtm -63.31 -40.38 97.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.083 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -31.61 71.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.495 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.504 ' HG ' ' HE2' ' A' ' 91' ' ' TYR . 11.7 t -62.54 -39.8 94.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.211 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -62.25 -35.32 78.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.673 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.45 -56.99 3.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.693 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -54.4 -41.94 69.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.334 . . . . 0.0 111.062 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.822 HD22 HG23 ' A' ' 84' ' ' VAL . 16.2 mt -63.58 -30.61 71.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.619 HG23 ' OH ' ' A' ' 43' ' ' TYR . 91.4 m -62.62 -32.8 73.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.5 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.06 -58.26 4.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.797 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.656 HG21 ' HA ' ' A' ' 84' ' ' VAL . 7.3 p -54.15 -30.83 20.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.92 0.39 . . . . 0.0 111.07 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.5 m -65.26 -39.93 93.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.57 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HE2' ' CD1' ' A' ' 43' ' ' TYR . 10.8 mttt -74.57 -44.94 48.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.811 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.565 ' O ' HG13 ' A' ' 38' ' ' VAL . 12.5 m -55.88 -33.21 64.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.814 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.819 HD13 ' CD1' ' A' ' 80' ' ' TYR . 66.1 mt -74.09 -28.34 61.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.693 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.416 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -78.73 -35.84 30.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.547 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -74.85 -27.87 60.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.726 0.298 . . . . 0.0 111.038 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 34' ' ' SER . 32.8 m -84.4 -45.35 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.434 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.504 ' N ' HG23 ' A' ' 38' ' ' VAL . 47.2 m-85 -86.43 -26.23 24.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.28 25.39 16.56 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.717 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.416 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 15.8 m -109.53 152.75 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.983 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -60.87 160.44 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.197 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.619 ' OH ' HG23 ' A' ' 29' ' ' THR . 11.3 t80 -59.59 -51.28 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.715 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -66.13 -17.46 64.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.235 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -30.13 67.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.238 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.625 HD12 ' CE1' ' A' ' 80' ' ' TYR . 15.8 mm -75.4 -67.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.251 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.608 ' HE2' HG21 ' A' ' 84' ' ' VAL . 22.7 m-85 -139.82 158.32 44.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -93.99 165.2 12.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.3 m -56.05 -39.7 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.1 p -74.1 -24.69 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.421 HG23 HG23 ' A' ' 72' ' ' VAL . 39.2 m -74.51 -48.34 27.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.099 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 47' ' ' PHE . 76.1 mt -58.82 -46.42 87.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.51 ' HA ' HD12 ' A' ' 25' ' ' LEU . 4.3 ptpt -58.95 -32.77 69.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.955 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.678 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -63.55 -58.54 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.835 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.692 HD21 HD22 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -57.71 -22.07 44.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.364 179.697 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.794 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -75.44 -55.16 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.262 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.74 -32.55 59.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.5 p -75.35 -46.5 32.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.768 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.901 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER 63.95 41.98 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.04 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 p -139.15 135.32 33.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.772 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.1 t -93.99 85.3 4.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.528 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.4 m-20 -124.65 156.48 68.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.673 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -87.83 -47.33 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.87 2.38 . . . . 0.0 113.058 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.9 -40.58 60.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.43 HG23 ' HB3' ' A' ' 62' ' ' ASP . 58.4 t -50.42 -26.26 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.15 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.97 HD12 HD21 ' A' ' 77' ' ' LEU . 3.8 mt -88.05 -30.85 19.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.725 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.442 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -52.24 -37.09 54.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 179.739 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -77.33 -23.97 50.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.885 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.678 HD12 ' HB3' ' A' ' 54' ' ' LYS . 18.5 mm -63.64 136.26 26.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -65.28 127.81 33.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 104.56 -32.83 7.1 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.421 HG23 HG23 ' A' ' 51' ' ' THR . 17.4 t -83.33 138.15 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.1 -176.58 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -69.41 -30.83 68.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -77.6 -35.33 52.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -71.05 -39.9 71.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.97 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -82.7 -11.92 57.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.318 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -84.14 -41.47 17.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.756 0.312 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HE3' ' CE2' ' A' ' 39' ' ' PHE . 21.8 ttpt -93.43 -57.95 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.092 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.859 ' O ' HG12 ' A' ' 84' ' ' VAL . 12.2 m-85 -70.96 -11.32 60.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.294 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.81 -14.29 36.53 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.096 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.5 -25.66 15.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.936 0.368 . . . . 0.0 111.687 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.668 ' CG ' HD21 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -96.57 -69.89 0.74 Allowed 'General case' 0 C--O 1.233 0.228 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.272 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.859 HG12 ' O ' ' A' ' 80' ' ' TYR . 7.2 p -53.75 -32.78 21.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.719 -179.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.1 mm -72.01 -33.37 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.518 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 t -57.93 -30.31 65.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.146 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.5 t -82.11 -21.3 9.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.892 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.712 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -84.51 -25.05 29.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.436 -179.658 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -51.48 -31.81 24.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 110.738 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -65.17 -45.04 86.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.755 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.712 ' HD2' HD23 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -60.49 -38.48 84.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.527 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.2 t -58.41 -30.34 66.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.856 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.995 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.136 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 pt -110.8 83.64 3.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.73 0.3 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.55 152.18 59.48 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.517 2.145 . . . . 0.0 112.333 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -105.07 123.06 47.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -126.78 171.49 11.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt 69.29 10.75 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.417 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 46.57 -166.25 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.808 0.337 . . . . 0.0 111.303 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.38 -60.74 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.795 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.07 90.31 3.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.045 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 mp -70.11 137.91 51.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 11' ' ' VAL . 9.3 p -175.18 107.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.024 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 59.85 174.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -147.48 -66.45 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.28 73.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.1 -52.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -69.37 -34.32 74.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.597 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -68.12 -37.48 81.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.79 -43.64 94.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -20.24 59.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.044 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.549 ' CB ' HD11 ' A' ' 59' ' ' LEU . 67.5 mmm -79.07 -42.52 26.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.214 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.746 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 5.7 m -65.88 -36.51 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 110.773 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -63.69 -46.87 83.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.479 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -32.11 67.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.617 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.39 -37.58 87.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.3 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.08 -40.19 92.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.654 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.28 -53.77 5.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.671 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.642 ' HB3' HG11 ' A' ' 87' ' ' VAL . 0.5 OUTLIER -53.87 -46.74 71.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.78 0.324 . . . . 0.0 111.038 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' ' 55' ' ' LEU . 12.2 mt -59.59 -30.57 68.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.0 m -59.31 -47.47 85.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.549 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -58.42 -59.94 4.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.664 HG23 ' OE1' ' A' ' 83' ' ' GLU . 4.1 p -51.62 -40.41 25.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.2 m -59.93 -51.02 71.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.731 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -59.43 -48.7 80.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.764 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 m -57.4 -30.47 64.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.843 HD21 ' HG3' ' A' ' 83' ' ' GLU . 33.2 mt -75.97 -30.15 58.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.64 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -72.97 -46.96 26.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.595 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -59.96 -24.07 64.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.66 0.267 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.85 -34.19 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.443 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -96.22 18.0 14.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.331 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.97 39.42 40.59 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.996 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.64 HG23 ' HA2' ' A' ' 36' ' ' GLY . 5.6 m -132.99 162.33 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.897 0.379 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.41 162.39 23.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.214 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -52.72 -54.57 31.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.033 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -58.86 -23.28 60.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -63.91 -29.83 70.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.113 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.487 HD12 ' CZ ' ' A' ' 80' ' ' TYR . 29.9 mm -71.86 -67.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.259 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.756 ' CE2' HG11 ' A' ' 84' ' ' VAL . 8.3 m-30 -138.19 143.88 40.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -84.68 165.35 17.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.459 ' HA ' HD12 ' A' ' 52' ' ' LEU . 1.8 m -49.09 -43.83 41.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.106 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.7 m -63.09 -30.04 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.613 HG21 ' CG ' ' A' ' 47' ' ' PHE . 99.1 m -75.39 -50.03 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.996 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 49' ' ' THR . 6.0 mt -52.8 -45.88 67.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.048 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -66.54 -36.38 82.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.767 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.923 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -60.93 -55.78 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.776 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.553 ' CD1' HD22 ' A' ' 66' ' ' LEU . 6.3 mp -53.0 -25.3 11.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.103 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.746 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -88.71 -59.08 2.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.618 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -44.54 -30.19 0.85 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.218 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 t -90.57 -41.45 11.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.661 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.739 ' HG ' HG12 ' A' ' 21' ' ' VAL . 8.0 mt 59.45 26.28 15.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 m -122.18 121.19 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.32 84.32 7.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.785 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.56 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -125.25 147.76 58.5 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.785 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 4.6 Cg_exo -75.78 -43.47 0.34 Allowed 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.516 2.144 . . . . 0.0 112.153 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.19 -35.59 61.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.615 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.56 HG23 ' HB3' ' A' ' 62' ' ' ASP . 23.0 t -68.72 -43.38 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.973 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.816 ' HB2' HD21 ' A' ' 77' ' ' LEU . 36.3 mt -73.69 -17.87 61.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.252 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.638 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -74.06 -36.34 64.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.88 0.372 . . . . 0.0 110.866 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.35 -3.68 34.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.712 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.923 HD12 ' HB3' ' A' ' 54' ' ' LYS . 26.3 mm -63.72 145.81 13.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.845 0.355 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -65.31 114.74 4.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.031 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.68 -34.83 5.42 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.637 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.439 ' CG2' HG23 ' A' ' 51' ' ' THR . 35.2 t -72.83 140.77 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.927 0.394 . . . . 0.0 111.218 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.5 p -131.84 -178.52 4.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.764 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.617 ' HA ' HD21 ' A' ' 67' ' ' LEU . 11.5 tt0 -62.76 -29.77 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -77.22 -28.73 53.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -81.32 -33.97 32.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.04 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.816 HD21 ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -81.08 -20.47 41.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -91.17 -29.3 17.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.47 -58.17 2.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.305 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.819 ' O ' HG22 ' A' ' 84' ' ' VAL . 24.3 m-85 -81.48 -28.0 34.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.423 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.422 ' HA2' HG23 ' A' ' 84' ' ' VAL . . . -47.03 -43.92 18.16 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.894 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.61 -27.82 63.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.712 0.291 . . . . 0.0 111.23 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.843 ' HG3' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.28 -60.95 1.51 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.273 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 80' ' ' TYR . 0.7 OUTLIER -50.69 -44.9 26.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.522 -179.62 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.555 HD11 HD11 ' A' ' 77' ' ' LEU . 43.0 mt -67.98 -29.84 46.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.691 0.282 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.4 t -56.3 -30.67 62.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.034 0.445 . . . . 0.0 110.318 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.642 HG11 ' HB3' ' A' ' 27' ' ' GLU . 21.7 t -90.73 -19.51 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.416 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.645 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -87.01 -21.11 26.33 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.205 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.51 -36.61 55.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.0 0.428 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -59.93 -45.21 93.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.692 ' HB3' HD22 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -60.21 -39.6 87.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.55 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.21 -29.5 58.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.747 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.95 -27.81 24.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.895 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -84.23 -30.26 25.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 t -71.51 -40.18 70.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.095 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -84.17 152.16 61.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.93 170.02 18.99 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.625 2.217 . . . . 0.0 112.347 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 59.46 164.02 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -157.58 75.74 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.28 163.97 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.906 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.1 pt -109.21 98.0 28.81 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-O 120.589 0.233 . . . . 0.0 111.147 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.53 -172.59 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.473 2.116 . . . . 0.0 112.266 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.28 133.84 55.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -126.46 147.81 49.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.21 140.25 58.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -83.32 126.56 32.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 175.74 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.26 93.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 mt -96.64 164.92 12.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.644 HG13 ' HB3' ' A' ' 97' ' ' PRO . 17.1 m -113.78 145.56 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.69 -48.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.29 156.87 18.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.48 44.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.18 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.6 p -103.74 -39.67 6.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -68.34 -35.76 78.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.804 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.66 -50.01 75.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.34 -30.38 68.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -78.26 -30.3 48.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.926 ' HB3' HD11 ' A' ' 59' ' ' LEU . 55.0 mmm -73.63 -47.83 37.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.73 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 18.5 m -58.24 -41.81 81.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.95 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 21' ' ' VAL . 7.7 mmpt? -60.96 -40.52 93.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.558 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -59.56 -30.44 68.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.595 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.431 ' HG ' ' HE2' ' A' ' 91' ' ' TYR . 15.3 t -67.81 -35.15 78.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.456 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.14 -43.49 98.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.716 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.37 -45.45 14.46 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.701 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' HB3' HG11 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -59.48 -50.55 73.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.047 -179.775 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.43 ' HA ' HG12 ' A' ' 31' ' ' VAL . 13.1 mt -59.35 -28.07 66.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.761 HG23 ' OH ' ' A' ' 43' ' ' TYR . 87.4 m -61.73 -45.0 95.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.874 0.368 . . . . 0.0 110.394 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -59.69 -58.74 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.778 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 ' OE1' ' A' ' 83' ' ' GLU . 7.3 p -54.48 -34.16 28.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.903 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -63.5 -53.19 55.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.615 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HE2' ' CE2' ' A' ' 43' ' ' TYR . 16.2 mttt -59.26 -51.46 69.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -56.11 -29.72 61.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.571 HD21 ' HG3' ' A' ' 83' ' ' GLU . 18.4 mt -71.29 -27.25 63.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.431 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -77.74 -34.29 39.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.77 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.84 -26.46 59.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.16 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -87.17 -36.28 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.388 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.432 ' CZ ' ' HG3' ' A' ' 79' ' ' LYS . 26.9 m-85 -92.02 -25.19 18.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.35 28.35 10.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.644 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.464 HG23 HD11 ' A' ' 46' ' ' ILE . 10.8 m -119.07 161.06 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.846 0.355 . . . . 0.0 111.002 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.44 162.41 29.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.057 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.761 ' OH ' HG23 ' A' ' 29' ' ' THR . 8.1 t80 -58.6 -50.81 72.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.75 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -28.42 69.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.066 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.98 -29.1 66.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.021 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.464 HD11 HG23 ' A' ' 41' ' ' VAL . 25.0 mm -69.25 -67.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.915 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.723 ' HE2' HG11 ' A' ' 84' ' ' VAL . 9.1 m-30 -138.99 173.72 11.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.729 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -113.89 165.21 12.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.764 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.7 m -53.07 -34.12 55.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.954 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.8 p -73.51 -29.82 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.565 HG21 ' CG ' ' A' ' 47' ' ' PHE . 97.8 m -69.4 -54.33 14.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -54.27 -50.37 67.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.93 -31.42 64.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.822 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.645 ' CG ' HD12 ' A' ' 69' ' ' ILE . 2.2 tptt -69.69 -59.35 3.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.683 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.86 HD21 HD13 ' A' ' 66' ' ' LEU . 1.1 mp -56.32 -22.63 31.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.111 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.73 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -76.31 -59.24 2.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.75 -34.77 40.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.039 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 m -68.81 -51.05 44.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.71 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.926 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.2 OUTLIER 63.94 41.19 6.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.736 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.6 m -139.11 144.62 38.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.78 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 p -98.35 84.5 3.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.059 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 55.5 m-20 -125.37 156.49 70.08 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.543 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -87.82 -49.85 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.738 2.292 . . . . 0.0 112.912 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -37.26 66.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.835 0.35 . . . . 0.0 111.411 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.423 HG23 ' HB3' ' A' ' 62' ' ' ASP . 47.7 t -53.31 -26.06 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.864 HD12 HD21 ' A' ' 77' ' ' LEU . 12.8 mt -86.34 -28.83 23.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.036 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.639 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -57.93 -37.96 75.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.945 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -73.46 -10.18 59.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.326 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.645 HD12 ' CG ' ' A' ' 54' ' ' LYS . 19.4 mm -74.02 136.78 24.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.863 0.363 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.45 125.22 22.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.01 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.89 -31.55 8.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.585 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.465 ' CG2' HG23 ' A' ' 51' ' ' THR . 9.8 t -85.07 114.0 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 0.0 111.064 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.27 -176.88 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' HA ' HD21 ' A' ' 67' ' ' LEU . 7.1 mm-40 -67.55 -19.62 65.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -90.04 -38.0 13.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.926 0.393 . . . . 0.0 111.215 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -67.78 -37.05 81.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.864 HD21 HD12 ' A' ' 66' ' ' LEU . 1.1 tm? -78.45 -24.05 46.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.414 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -87.47 -27.14 22.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.659 0.266 . . . . 0.0 111.485 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.432 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -96.38 -24.86 15.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.731 -179.527 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.819 ' O ' HG22 ' A' ' 84' ' ' VAL . 43.5 m-85 -114.16 -23.08 9.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -45.75 -39.76 8.61 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.112 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.62 -27.13 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.778 0.323 . . . . 0.0 111.288 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.571 ' HG3' HD21 ' A' ' 35' ' ' LEU . 5.3 mm-40 -96.27 -60.29 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.274 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -47.28 -55.36 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.386 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.2 mt -57.51 -29.84 34.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.082 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.1 t -56.41 -32.74 65.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.966 0.413 . . . . 0.0 110.438 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.423 HG11 ' HB3' ' A' ' 27' ' ' GLU . 15.4 t -90.58 -19.8 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.345 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.756 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -86.01 -15.4 41.56 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.301 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.72 -35.62 61.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.824 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -63.96 -43.5 95.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.756 ' HD2' HD23 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -60.5 -41.56 94.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.666 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -31.9 63.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.666 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -80.51 -27.11 37.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.798 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -91.98 -7.13 49.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.489 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.1 m -66.62 -31.83 72.78 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.885 0.374 . . . . 0.0 110.999 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.0 t -110.05 142.36 25.74 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.644 ' HB3' HG13 ' A' ' 11' ' ' VAL . 52.0 Cg_endo -69.43 -46.49 1.34 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.532 2.154 . . . . 0.0 112.225 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.28 174.92 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -85.9 -31.18 22.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -169.34 37.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.877 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.8 pt -111.41 147.36 36.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.693 0.282 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.37 143.29 38.73 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.489 2.126 . . . . 0.0 112.328 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.33 31.66 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.791 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -109.37 155.85 20.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.1 pttt -105.14 122.55 46.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.7 130.34 35.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.79 -31.05 7.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.9 164.46 25.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 tp -146.76 32.86 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.65 -61.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.52 146.42 42.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -101.53 -40.86 6.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.492 HG22 ' N ' ' A' ' 15' ' ' SER . 10.8 p -72.21 158.44 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.492 ' N ' HG22 ' A' ' 14' ' ' VAL . 1.2 m -68.23 92.79 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.94 -20.66 28.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -29.34 33.69 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.867 0.365 . . . . 0.0 111.088 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.98 -56.59 15.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -60.16 -26.3 66.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.6 mtp -62.57 -63.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.343 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.579 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 2.9 m -52.24 -43.53 39.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.731 0.301 . . . . 0.0 111.238 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -59.74 -48.68 80.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.035 0.445 . . . . 0.0 110.376 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -32.48 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.47 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.456 ' HA ' ' OH ' ' A' ' 91' ' ' TYR . 10.3 t -68.19 -34.28 75.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.602 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.29 -38.56 87.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.533 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.31 -43.84 12.32 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.56 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.515 ' HB3' HG11 ' A' ' 87' ' ' VAL . 26.2 mt-10 -60.08 -50.88 71.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 55' ' ' LEU . 13.0 mt -59.27 -31.07 68.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.511 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 95.1 m -60.09 -36.83 78.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.511 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.84 -59.1 3.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.738 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.546 HG23 ' HG3' ' A' ' 83' ' ' GLU . 4.3 p -52.48 -38.41 26.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.142 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.5 m -58.45 -50.67 72.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 6.7 mttt -60.3 -49.85 75.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.667 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -55.78 -25.41 40.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.874 HD11 ' HB3' ' A' ' 83' ' ' GLU . 40.1 mt -81.83 -29.66 32.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.19 -28.73 61.57 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.768 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -30.08 54.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 111.089 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.0 m -83.14 -34.38 11.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.266 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CZ ' ' HE3' ' A' ' 79' ' ' LYS . 21.2 m-85 -90.35 -25.96 20.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.005 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.11 18.38 36.99 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.636 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -106.94 175.16 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.789 0.328 . . . . 0.0 111.008 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -89.48 162.08 15.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.511 ' CZ ' HG23 ' A' ' 29' ' ' THR . 7.6 t80 -54.61 -49.59 70.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -25.32 68.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.999 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -62.6 -31.08 71.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.164 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.499 HD12 ' CZ ' ' A' ' 80' ' ' TYR . 30.1 mm -68.97 -67.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.191 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.8 ' CE2' HG11 ' A' ' 84' ' ' VAL . 6.7 m-30 -137.27 159.31 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.983 0.421 . . . . 0.0 111.002 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -100.23 165.38 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.8 m -48.45 -42.56 32.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.233 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.8 m -65.76 -34.93 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.619 HG21 ' CD1' ' A' ' 47' ' ' PHE . 89.4 m -69.7 -46.93 64.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.6 mt -57.37 -44.0 84.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.15 -32.54 71.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.783 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.911 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -67.26 -55.01 15.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.59 ' HG ' HD22 ' A' ' 66' ' ' LEU . 6.6 mp -52.79 -26.05 13.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.009 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.579 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -90.01 -58.37 2.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.469 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -40.09 -32.44 0.17 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.618 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.8 t -86.05 -42.21 14.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.809 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.2 OUTLIER 63.05 36.53 12.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.3 130.95 27.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.33 84.58 6.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.64 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.6 m-20 -125.42 148.7 62.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 3.2 Cg_exo -74.7 -52.65 0.11 Allowed 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.529 2.153 . . . . 0.0 112.134 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -65.38 -32.43 74.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.64 HG23 ' HB3' ' A' ' 62' ' ' ASP . 23.0 t -71.78 -48.05 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.015 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.804 ' HB2' HD21 ' A' ' 77' ' ' LEU . 35.5 mt -70.67 -17.86 62.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.326 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.768 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -75.67 -36.38 60.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 179.807 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -75.44 -3.38 33.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.728 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.911 HD12 ' HB3' ' A' ' 54' ' ' LYS . 31.7 mm -63.83 149.18 10.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -68.28 116.37 8.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.29 -30.6 10.03 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.609 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.442 ' CG2' HG23 ' A' ' 51' ' ' THR . 24.4 t -78.42 121.33 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 111.167 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.7 p -107.79 -177.63 3.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.767 ' HA ' HD21 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -63.34 -25.5 68.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -83.38 -27.37 29.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.219 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -74.71 -37.6 62.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.187 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -79.56 -21.45 45.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -91.58 -28.81 17.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.261 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.406 ' HE3' ' CZ ' ' A' ' 39' ' ' PHE . 19.4 ttpt -96.12 -58.34 2.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.461 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.649 ' CD1' HD13 ' A' ' 35' ' ' LEU . 14.6 m-85 -82.01 -27.57 33.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.304 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.83 -27.97 5.14 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.725 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.37 -28.25 66.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.774 0.321 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.874 ' HB3' HD11 ' A' ' 35' ' ' LEU . 2.5 tp10 -96.36 -61.92 1.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.272 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.8 HG11 ' CE2' ' A' ' 47' ' ' PHE . 3.3 m -48.19 -54.17 4.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.544 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.533 HD11 HD11 ' A' ' 77' ' ' LEU . 35.9 mt -57.88 -28.6 33.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.703 0.287 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -33.24 68.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.025 0.441 . . . . 0.0 110.177 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.515 HG11 ' HB3' ' A' ' 27' ' ' GLU . 14.5 t -90.62 -19.63 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.314 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.709 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -87.23 -14.0 42.25 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.159 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -55.36 -37.62 67.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.879 0.371 . . . . 0.0 110.965 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -62.62 -27.51 69.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.186 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.809 ' HB3' HD13 ' A' ' 59' ' ' LEU . 7.3 m-30 -71.0 -52.14 21.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.848 0.356 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.456 ' O ' HG22 ' A' ' 95' ' ' THR . 0.4 OUTLIER -52.95 -25.76 12.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -93.24 -27.96 16.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -102.29 13.37 34.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.454 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 92' ' ' SER . 5.6 t -84.26 -30.01 25.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.818 0.342 . . . . 0.0 111.095 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.7 p -101.55 107.73 52.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.51 -40.73 9.92 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.321 2.014 . . . . 0.0 112.272 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.55 -175.38 4.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.017 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -155.24 114.94 3.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -79.57 -169.72 2.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.8 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.957 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 pt -124.05 76.32 59.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.79 -39.57 77.0 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.578 2.185 . . . . 0.0 112.275 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 60.63 91.52 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -71.23 100.46 2.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.96 84.26 1.71 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -138.28 97.97 3.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -175.14 -50.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.764 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.26 122.7 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.631 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -146.88 128.43 15.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 12' ' ' ALA . 16.1 m -122.51 -46.17 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.223 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.463 ' N ' HG23 ' A' ' 11' ' ' VAL . . . 64.67 -79.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HG2' HG23 ' A' ' 14' ' ' VAL . 10.6 ttpt -141.37 149.2 40.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.46 HG23 ' HG2' ' A' ' 13' ' ' LYS . 21.5 t 60.82 155.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.192 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.438 ' N ' HG12 ' A' ' 14' ' ' VAL . 73.4 m -72.15 131.14 42.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.945 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -29.02 35.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.63 -46.62 86.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.044 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -62.17 -35.1 77.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.14 -23.27 57.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.955 ' HB3' HD11 ' A' ' 59' ' ' LEU . 80.8 mmm -76.76 -50.37 13.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.065 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.672 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 21.9 m -57.03 -41.48 77.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.94 0.4 . . . . 0.0 110.802 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.43 ' N ' HG23 ' A' ' 21' ' ' VAL . 7.6 mmtp -64.38 -40.8 96.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.402 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -60.35 -28.56 68.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.664 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.1 t -69.01 -37.38 78.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.463 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -45.74 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.71 -43.49 23.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.824 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.484 ' HB3' HG11 ' A' ' 87' ' ' VAL . 2.6 mm-40 -59.05 -51.2 71.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 111.003 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' HA ' HG12 ' A' ' 31' ' ' VAL . 13.3 mt -59.5 -28.56 67.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.039 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.5 m -61.58 -40.1 93.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 110.639 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -65.53 -58.51 5.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.832 HG23 ' OE2' ' A' ' 83' ' ' GLU . 5.6 p -52.68 -33.24 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.961 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -62.92 -55.43 26.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.691 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -58.53 -46.74 86.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.947 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.7 t -56.63 -30.87 63.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.771 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.764 HD13 ' CD1' ' A' ' 80' ' ' TYR . 18.5 mt -77.44 -28.78 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.443 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -76.81 -48.48 8.66 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.592 -0.814 . . . . 0.0 112.658 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.667 ' HE2' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -56.31 -23.25 35.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.649 0.261 . . . . 0.0 111.177 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.667 HG13 ' HE2' ' A' ' 37' ' ' LYS . 25.3 m -92.0 -29.58 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.435 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.442 ' CE1' ' HE3' ' A' ' 79' ' ' LYS . 28.6 m-85 -103.6 13.79 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.477 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.8 33.44 55.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.068 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.443 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 24.3 m -124.68 138.15 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.934 0.397 . . . . 0.0 111.037 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -57.44 162.2 3.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.353 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -56.04 -50.17 71.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.865 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -58.87 -27.43 65.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.79 -29.2 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.447 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 24.5 mm -73.99 -67.35 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.685 ' CE2' HG11 ' A' ' 84' ' ' VAL . 11.1 m-30 -137.97 171.44 14.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.944 0.402 . . . . 0.0 111.043 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -114.08 165.36 12.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.4 m -52.18 -32.29 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.1 m -73.22 -27.76 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.287 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.619 HG21 ' CG ' ' A' ' 47' ' ' PHE . 54.3 m -73.0 -57.05 4.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 mt -53.02 -49.12 66.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -57.67 -33.54 68.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.872 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -70.07 -57.18 5.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.637 HD11 HD22 ' A' ' 66' ' ' LEU . 1.2 mp -59.33 -20.04 51.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.53 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.672 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -77.51 -56.04 4.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.705 0.288 . . . . 0.0 111.027 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.08 -43.54 82.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 m -61.43 -52.78 63.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.955 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER 65.61 36.42 6.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.2 m -133.1 137.12 46.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.5 p -93.03 84.92 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.571 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -125.21 156.39 69.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.853 179.788 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -88.48 -51.25 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.845 2.363 . . . . 0.0 112.666 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -69.35 -43.58 73.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.053 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.3 t -52.76 -26.07 9.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.014 0.435 . . . . 0.0 111.0 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.637 HD22 HD11 ' A' ' 55' ' ' LEU . 91.3 mt -84.69 -28.88 26.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.204 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.64 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -60.34 -36.82 78.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.678 179.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -74.19 -19.24 60.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.255 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.872 HD12 ' HB3' ' A' ' 54' ' ' LYS . 19.5 mm -63.74 135.1 28.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.27 128.68 37.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.987 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.85 -25.71 22.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.659 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.504 ' CG2' HG23 ' A' ' 51' ' ' THR . 10.8 t -88.82 115.58 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.063 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.76 -179.62 4.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.593 ' CG ' HD21 ' A' ' 67' ' ' LEU . 74.5 mt-10 -68.74 -29.64 68.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -77.74 -35.46 51.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -73.57 -31.74 63.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.973 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.726 ' O ' HD13 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -81.03 -25.24 37.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.018 -179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -90.99 -22.34 20.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.238 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.442 ' HE3' ' CE1' ' A' ' 39' ' ' PHE . 3.5 tttt -96.43 -44.06 7.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.594 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.764 ' CD1' HD13 ' A' ' 35' ' ' LEU . 29.7 m-85 -98.58 -22.61 15.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.76 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -47.07 -27.58 3.64 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.988 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.15 -28.89 64.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.687 0.28 . . . . 0.0 111.299 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.832 ' OE2' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -96.4 -58.5 2.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.416 -179.765 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.685 HG11 ' CE2' ' A' ' 47' ' ' PHE . 9.2 m -48.67 -50.57 12.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.515 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.45 ' N ' HG23 ' A' ' 84' ' ' VAL . 14.8 mt -60.62 -32.41 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.734 0.302 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.7 t -55.17 -31.95 61.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.976 0.417 . . . . 0.0 110.515 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.484 HG11 ' HB3' ' A' ' 27' ' ' GLU . 8.9 t -90.48 -19.86 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.369 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -82.25 -25.95 33.63 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.859 -179.409 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -48.18 -36.31 13.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.96 0.41 . . . . 0.0 110.952 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -64.65 -32.6 74.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.807 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 1.4 m-30 -74.01 -32.9 63.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.587 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -35.25 74.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.765 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -80.55 -27.93 37.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -93.19 11.43 27.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.356 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.5 m -69.78 -44.91 69.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.77 0.319 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 m -125.35 147.08 56.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.73 153.36 53.83 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.474 2.116 . . . . 0.0 112.332 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 59.35 86.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -101.03 -43.91 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.2 t70 60.12 31.99 20.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.817 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.585 -0.206 . . . . 0.0 112.585 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mp -136.3 83.52 32.04 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 111.24 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.93 -168.0 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.63 2.22 . . . . 0.0 112.267 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.78 118.0 30.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.787 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -128.33 -60.24 1.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.63 110.54 6.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.775 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.83 114.94 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.57 151.81 48.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.812 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.48 160.8 35.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.517 ' O ' HG22 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -101.25 -41.14 6.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.968 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 10' ' ' LEU . 21.9 m 45.43 -171.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.578 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.39 134.99 50.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -141.66 31.07 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.79 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.9 m -76.03 131.46 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.192 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t 73.1 5.76 5.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.623 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -91.59 -34.08 14.86 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.849 0.357 . . . . 0.0 110.837 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -60.54 -50.18 74.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.991 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -34.81 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -76.56 -17.86 58.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.141 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.734 ' C ' HD21 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -83.31 -37.3 23.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.284 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.712 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 3.0 m -70.98 -35.69 60.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.906 0.384 . . . . 0.0 110.977 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -68.71 -56.23 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.744 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -57.56 -31.69 66.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.67 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 t -61.35 -43.95 98.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.505 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -58.6 -39.98 81.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.4 -40.37 48.43 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.672 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -62.11 -53.75 50.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 110.942 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.808 HD22 HG22 ' A' ' 84' ' ' VAL . 94.5 mt -58.88 -26.32 64.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.009 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.801 HG23 ' OH ' ' A' ' 43' ' ' TYR . 98.3 m -64.18 -36.86 85.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.86 0.362 . . . . 0.0 110.31 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -56.91 7.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.605 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.654 HG21 ' HA ' ' A' ' 84' ' ' VAL . 7.2 p -57.2 -29.64 32.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.968 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -65.94 -41.04 91.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.78 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -71.41 -45.74 61.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 m -55.61 -44.57 77.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.719 HD13 ' CD1' ' A' ' 80' ' ' TYR . 60.3 mt -60.57 -32.93 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.627 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.405 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -73.31 -20.9 80.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.565 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -86.25 -28.17 23.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.698 0.285 . . . . 0.0 111.056 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 36.0 m -90.71 -40.04 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.446 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.493 ' HE2' HD22 ' A' ' 35' ' ' LEU . 40.4 m-85 -83.21 -27.18 30.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.11 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.1 24.7 21.71 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.627 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.405 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 22.4 m -110.22 174.5 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 111.028 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -86.56 162.16 18.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.176 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.801 ' OH ' HG23 ' A' ' 29' ' ' THR . 6.2 t80 -55.54 -60.02 4.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -59.01 -21.09 58.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -42.21 81.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.06 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.471 HD12 ' CE1' ' A' ' 80' ' ' TYR . 34.0 mm -61.7 -67.42 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.113 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.552 ' HE2' HG21 ' A' ' 84' ' ' VAL . 21.2 m-85 -137.7 160.08 40.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.994 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.18 165.32 11.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.1 m -50.49 -43.71 55.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.07 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.9 m -65.88 -28.79 44.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.219 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.509 HG23 ' CG2' ' A' ' 72' ' ' VAL . 85.0 m -69.23 -58.24 4.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.228 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.84 -49.42 65.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.523 ' HA ' HD12 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -60.0 -36.7 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.975 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.874 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -65.74 -60.11 3.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.018 -179.815 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -52.93 -25.09 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.734 0.302 . . . . 0.0 111.201 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.712 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -81.19 -55.33 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.128 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -47.23 -29.25 2.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.048 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -84.88 -41.99 15.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.776 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.937 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.2 OUTLIER 64.57 44.32 4.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.635 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.31 142.49 37.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.6 p -97.99 85.07 3.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.524 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.2 m-20 -124.55 156.28 67.97 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -86.95 -47.8 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.77 2.313 . . . . 0.0 112.884 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -76.82 -36.13 57.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.817 0.341 . . . . 0.0 111.253 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.524 HG23 ' HB3' ' A' ' 62' ' ' ASP . 61.5 t -54.03 -23.78 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.365 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.003 HD13 HD21 ' A' ' 55' ' ' LEU . 1.5 mt -86.92 -32.97 19.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.91 0.386 . . . . 0.0 110.635 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.628 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -54.91 -38.79 68.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.966 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -72.07 -21.36 61.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.874 HD12 ' HB3' ' A' ' 54' ' ' LYS . 33.8 mm -63.84 147.45 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -70.3 125.19 26.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.08 -27.49 20.16 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.586 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.509 ' CG2' HG23 ' A' ' 51' ' ' THR . 14.4 t -81.37 152.57 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.5 p -144.04 -178.81 6.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.91 -29.31 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -80.44 -32.86 37.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.054 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -68.68 -43.0 77.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.957 HD21 HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -73.56 -15.12 61.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.266 179.79 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -91.37 -41.27 10.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.786 0.327 . . . . 0.0 111.15 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -81.59 -52.6 7.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.245 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.904 ' O ' HG12 ' A' ' 84' ' ' VAL . 26.9 m-85 -97.76 30.17 3.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.069 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -91.37 -10.81 61.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.978 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.25 -24.35 15.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.705 ' CG ' HD21 ' A' ' 35' ' ' LEU . 1.2 mm-40 -96.28 -70.3 0.72 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.904 HG12 ' O ' ' A' ' 80' ' ' TYR . 9.6 p -55.02 -32.65 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.658 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.9 mm -69.03 -36.63 74.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.815 0.34 . . . . 0.0 110.275 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.3 p -56.72 -31.6 64.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.084 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.7 t -78.55 -23.05 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.784 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.609 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 0.4 OUTLIER -80.85 -25.5 37.65 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.367 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -51.99 -25.55 8.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 111.193 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -81.24 -26.95 35.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.295 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.937 ' HB3' HD13 ' A' ' 59' ' ' LEU . 3.5 m-30 -72.5 -30.39 64.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.08 -29.55 19.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -81.39 -30.57 33.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.101 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 10.0 m0 -76.59 -35.18 58.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.082 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.4 t -66.98 -28.99 68.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.063 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.13 108.17 16.15 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.35 -167.39 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.463 2.109 . . . . 0.0 112.273 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 63.69 125.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.52 172.93 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -176.49 162.67 2.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 64.4 m . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.871 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.612 -0.195 . . . . 0.0 112.612 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 2' ' ' ILE . 0.9 OUTLIER -124.8 87.88 54.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.994 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.48 100.39 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.503 2.135 . . . . 0.0 112.37 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -95.05 162.48 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -106.97 30.77 5.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -135.73 175.5 9.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -159.6 89.89 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' HD3' ' HB1' ' A' ' 98' ' ' ALA . 4.1 tttp -139.05 -65.52 0.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.97 174.77 13.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -169.24 136.51 1.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.3 p -116.12 130.67 70.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.55 91.95 3.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -131.1 -50.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.21 145.17 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 m -70.78 83.25 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -31.34 45.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 mtt-85 -63.73 -29.25 70.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -60.34 -59.88 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -22.93 67.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -61.85 2.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.273 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.813 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 11.1 m -55.55 -39.78 55.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.379 . . . . 0.0 111.344 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -62.91 -46.51 87.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.63 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -29.11 68.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.769 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.477 ' HB2' HD21 ' A' ' 59' ' ' LEU . 36.6 t -66.53 -40.09 88.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -61.53 -37.74 84.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.779 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.09 -45.9 11.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.562 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.682 ' HB3' HG11 ' A' ' 87' ' ' VAL . 2.6 mm-40 -60.25 -51.07 71.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 111.04 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 28' ' ' LEU . 15.0 mt -58.94 -28.0 65.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.184 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.639 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 87.6 m -63.91 -37.84 88.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.374 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -58.38 6.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.828 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.637 HG23 ' CG ' ' A' ' 83' ' ' GLU . 2.5 p -57.55 -32.55 42.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -60.26 -45.29 93.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.709 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 9.8 mttt -67.6 -44.23 78.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.766 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.1 m -56.56 -34.06 66.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.784 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.869 HD11 ' HB3' ' A' ' 83' ' ' GLU . 86.0 mt -77.99 -29.91 49.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.628 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -76.15 -26.81 63.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.821 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -76.77 -24.79 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.74 0.305 . . . . 0.0 111.123 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.1 m -92.07 -30.72 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.509 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.453 ' CE1' ' HE2' ' A' ' 79' ' ' LYS . 25.1 m-85 -95.07 17.64 13.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.391 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.37 44.33 44.7 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.087 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.628 HG23 ' HA2' ' A' ' 36' ' ' GLY . 5.9 m -134.68 172.2 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.656 0.265 . . . . 0.0 111.071 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.53 162.09 14.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.032 0.444 . . . . 0.0 111.35 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.639 ' CZ ' HG23 ' A' ' 29' ' ' THR . 12.9 t80 -56.99 -22.92 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.002 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -91.45 15.08 13.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.334 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -104.71 -30.78 9.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.856 0.36 . . . . 0.0 110.734 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.457 HD12 ' CE1' ' A' ' 80' ' ' TYR . 29.3 mm -69.8 -67.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.713 ' CE2' HG11 ' A' ' 84' ' ' VAL . 13.8 m-30 -133.88 158.68 42.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.787 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -95.32 165.34 12.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.962 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.8 m -52.12 -46.25 65.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.996 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.5 p -71.81 -26.18 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 m -69.83 -49.24 54.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.076 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.5 mt -58.35 -51.38 70.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.055 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.404 ' HA ' HD12 ' A' ' 25' ' ' LEU . 12.6 ptpt -55.37 -30.88 61.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.657 ' HB3' HD12 ' A' ' 69' ' ' ILE . 1.4 mptt -62.61 -55.95 22.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.595 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.608 HD21 ' CD1' ' A' ' 66' ' ' LEU . 1.8 mp -59.13 -23.03 61.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.382 179.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.813 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -83.66 -49.62 8.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 111.069 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.62 -34.13 64.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.937 0.399 . . . . 0.0 110.659 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -84.69 -48.38 9.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.466 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.869 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.1 OUTLIER 63.54 50.45 2.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.086 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.8 m -139.29 125.69 20.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.764 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.407 ' HB3' ' CB ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -86.11 84.22 7.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.088 -179.799 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.607 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 11.9 m-20 -126.2 147.65 60.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.728 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 4.7 Cg_exo -79.07 -40.18 0.29 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.76 2.307 . . . . 0.0 112.418 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.04 -37.15 39.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.324 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.516 HG23 ' HB3' ' A' ' 62' ' ' ASP . 59.4 t -57.1 -38.63 61.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.211 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.815 HD12 HD21 ' A' ' 77' ' ' LEU . 15.2 mt -71.8 -31.88 67.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.612 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -58.14 -36.75 73.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -76.14 -19.61 58.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.381 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.657 HD12 ' HB3' ' A' ' 54' ' ' LYS . 22.0 mm -63.69 139.71 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 111.021 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -67.37 122.42 17.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.53 -28.97 11.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.453 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -85.02 133.19 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p -123.49 -178.07 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -42.14 98.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -66.91 -43.08 84.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.442 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 9.2 mmtm -59.81 -52.98 63.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.815 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -68.74 -12.16 61.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.791 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -81.04 -61.86 1.83 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.675 0.274 . . . . 0.0 111.62 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.453 ' HE2' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -80.92 -41.72 22.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.956 -179.041 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.643 ' O ' HG22 ' A' ' 84' ' ' VAL . 15.8 m-85 -80.94 -28.22 35.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.623 0.249 . . . . 0.0 111.402 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.61 -27.07 5.77 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.814 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.41 -24.05 50.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.713 0.292 . . . . 0.0 111.261 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.869 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -96.2 -61.7 1.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.196 -179.703 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.723 ' O ' HD12 ' A' ' 88' ' ' LEU . 3.2 m -49.8 -54.52 7.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.34 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.491 ' H ' HG23 ' A' ' 84' ' ' VAL . 27.3 mt -59.45 -25.68 31.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.07 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.9 t -60.74 -33.11 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.988 0.423 . . . . 0.0 110.312 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.682 HG11 ' HB3' ' A' ' 27' ' ' GLU . 12.3 t -90.76 -19.77 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.467 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.757 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -87.41 -17.8 31.45 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.27 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.54 -25.55 17.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 0.0 111.247 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -75.86 -29.01 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.164 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.869 ' HB3' HD13 ' A' ' 59' ' ' LEU . 4.9 m-30 -69.73 -51.95 29.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.188 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.2 t -62.69 -23.77 67.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.267 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -87.89 -20.01 26.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.418 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -110.66 -9.65 14.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.639 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.7 t -66.8 -32.7 74.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.766 0.317 . . . . 0.0 111.021 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 m -85.69 123.77 72.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.47 -33.09 11.35 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.327 2.018 . . . . 0.0 112.409 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.419 ' HB1' ' HD3' ' A' ' 8' ' ' LYS . . . -74.93 -30.31 61.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -62.67 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.18 104.17 12.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.2 t . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.861 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.606 -0.198 . . . . 0.0 112.606 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 2' ' ' ILE . 0.5 OUTLIER -159.3 91.58 1.9 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 111.119 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.13 -23.23 21.7 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.705 2.27 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.56 -32.14 49.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.135 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -140.33 124.84 17.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -90.93 167.39 12.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -151.51 135.81 16.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.652 ' H ' ' HB2' ' A' ' 98' ' ' ALA . 4.6 tttp 59.79 -170.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.56 138.11 47.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.2 mt -102.33 -50.68 3.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 t -68.67 144.48 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.999 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 60.71 80.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.22 89.49 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 15' ' ' SER . 29.7 t -129.44 155.02 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.432 ' N ' HG12 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -66.9 76.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.754 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -81.12 -22.41 39.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.097 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.614 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -68.77 -29.08 67.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.051 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -34.79 60.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.939 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.21 -30.27 34.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.454 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -67.24 -44.21 80.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.977 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.646 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 14.7 m -67.38 -45.07 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.179 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.474 ' N ' HG23 ' A' ' 21' ' ' VAL . 9.5 mmtp -60.61 -41.32 94.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -57.75 -31.12 66.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.505 ' HB2' HD21 ' A' ' 59' ' ' LEU . 19.1 t -69.44 -33.94 73.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.16 -41.44 98.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.848 0.356 . . . . 0.0 110.602 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.76 -44.45 10.37 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.641 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.489 ' HB3' HG11 ' A' ' 87' ' ' VAL . 6.1 mm-40 -59.04 -49.33 78.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.93 0.395 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.464 ' HA ' HG12 ' A' ' 31' ' ' VAL . 13.3 mt -60.94 -30.03 69.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.65 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 91.9 m -61.22 -32.47 72.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.355 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.11 -59.37 2.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 28' ' ' LEU . 5.6 p -53.16 -38.49 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.7 m -60.62 -43.72 97.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.711 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -58.67 -54.29 48.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -56.75 -31.31 64.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.794 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.713 HD13 ' CD1' ' A' ' 80' ' ' TYR . 26.9 mt -71.85 -21.47 61.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.037 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.667 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -81.61 -37.19 17.68 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.666 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -73.87 -27.19 60.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.703 0.287 . . . . 0.0 111.016 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.468 HG23 ' CD2' ' A' ' 39' ' ' PHE . 27.9 m -85.46 -28.85 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.534 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.468 ' CD2' HG23 ' A' ' 38' ' ' VAL . 44.6 m-85 -107.93 17.53 22.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.486 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 49.88 41.31 36.18 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.053 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.667 HG23 ' HA2' ' A' ' 36' ' ' GLY . 7.0 m -132.16 155.83 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.076 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.16 162.22 28.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.305 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.65 ' CZ ' HG23 ' A' ' 29' ' ' THR . 12.3 t80 -56.53 -48.0 78.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.789 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -18.72 65.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.255 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -72.33 -30.35 64.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.269 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.4 HD12 ' CE1' ' A' ' 80' ' ' TYR . 30.2 mm -67.0 -67.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.146 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.721 ' CE2' HG11 ' A' ' 84' ' ' VAL . 8.9 m-30 -138.24 150.09 46.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.994 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -92.13 165.36 13.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -51.37 -37.57 48.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.089 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.1 m -67.12 -26.64 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.277 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.689 HG21 ' CG ' ' A' ' 47' ' ' PHE . 77.0 m -74.33 -55.92 5.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.6 mt -56.27 -47.49 78.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.238 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -57.47 -35.01 69.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.768 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.536 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -67.62 -59.25 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.651 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.703 HD11 HD22 ' A' ' 66' ' ' LEU . 1.6 mp -58.53 -20.43 46.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.556 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.646 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -78.89 -50.97 10.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.345 . . . . 0.0 111.15 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -54.52 -47.51 73.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.077 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.2 p -71.37 -49.38 42.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER 64.61 50.94 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -139.18 146.1 40.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.704 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.66 84.81 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.548 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 4.4 m-20 -125.37 156.83 69.59 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -87.24 -59.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.956 2.437 . . . . 0.0 112.252 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -61.12 -47.09 87.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.1 t -52.5 -26.69 10.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.012 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.703 HD22 HD11 ' A' ' 55' ' ' LEU . 79.5 mt -87.43 -17.83 31.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.536 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.653 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -71.78 -37.31 70.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.45 -9.24 58.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.636 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.536 HD12 ' HB3' ' A' ' 54' ' ' LYS . 27.8 mm -68.06 152.3 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.854 0.359 . . . . 0.0 111.156 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -71.79 121.75 19.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.57 -34.75 4.67 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.651 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.579 ' CG2' HG23 ' A' ' 51' ' ' THR . 21.5 t -78.3 123.51 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.335 . . . . 0.0 111.248 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 p -121.0 -178.56 3.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.744 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -58.93 -45.15 91.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -63.17 -33.25 75.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -74.74 -35.58 62.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.579 HD21 ' HB2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -82.25 -18.74 41.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.245 -179.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -91.47 -28.64 17.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.46 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 8.7 ttpt -96.52 -57.91 2.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.259 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.713 ' CD1' HD13 ' A' ' 35' ' ' LEU . 27.6 m-85 -82.83 -28.02 30.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.459 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -44.89 -42.02 7.65 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 121.072 -0.585 . . . . 0.0 113.168 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.03 -27.09 66.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.719 0.295 . . . . 0.0 111.384 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.616 ' HG3' HD21 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -96.2 -62.2 1.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.443 -179.607 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.721 HG11 ' CE2' ' A' ' 47' ' ' PHE . 3.5 m -46.8 -52.05 4.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.426 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.486 HD11 HD11 ' A' ' 77' ' ' LEU . 31.5 mt -59.92 -27.65 39.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.841 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 t -58.47 -31.26 67.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.03 0.443 . . . . 0.0 110.394 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.489 HG11 ' HB3' ' A' ' 27' ' ' GLU . 21.8 t -90.55 -19.6 7.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.356 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.764 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -86.53 -20.83 27.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.819 -179.39 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -49.78 -33.24 15.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.934 0.397 . . . . 0.0 111.11 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -65.69 -42.85 90.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.764 ' HD2' HD23 ' A' ' 88' ' ' LEU . 1.9 m-30 -58.9 -46.0 88.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.814 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.5 t -58.98 -21.28 58.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -97.3 -16.61 20.23 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.367 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -111.55 -5.08 14.58 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 t -66.78 -24.56 66.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.66 0.267 . . . . 0.0 111.214 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -83.81 129.69 58.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.771 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.85 -29.18 15.74 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.456 2.104 . . . . 0.0 112.329 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.652 ' HB2' ' H ' ' A' ' 8' ' ' LYS . . . -92.02 104.31 16.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -73.85 151.07 40.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.74 139.27 43.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.83 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.485 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 2.1 mp -75.9 -48.05 3.7 Favored Pre-proline 0 C--N 1.33 -0.241 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 2' ' ' ILE . 84.9 Cg_endo -78.41 153.95 27.65 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.343 2.029 . . . . 0.0 112.329 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.78 -40.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -63.13 86.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -150.72 -177.89 6.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.67 95.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -60.06 -70.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.972 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.7 91.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 64.37 -76.48 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.406 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 11.9 t 72.28 -62.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 11' ' ' VAL . . . 67.28 163.55 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.05 -41.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 14' ' ' VAL . 7.8 p -160.88 74.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.27 60.8 3.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -67.38 -58.16 5.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.575 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -61.48 -29.96 70.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -70.49 -41.53 72.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.854 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.58 -24.64 56.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.894 ' HB3' HD11 ' A' ' 59' ' ' LEU . 61.2 mmm -72.04 -46.29 57.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.168 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 17' ' ' ARG . 13.8 m -64.01 -35.9 75.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 111.056 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -63.35 -46.02 88.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.7 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -58.53 -28.94 65.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.945 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.433 ' HG ' ' HE2' ' A' ' 91' ' ' TYR . 22.4 t -66.29 -41.6 89.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.723 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.02 -40.08 88.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.94 -50.75 7.51 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.716 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.518 ' HB3' HG11 ' A' ' 87' ' ' VAL . 5.0 mt-10 -56.24 -49.14 75.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 111.178 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.442 ' HA ' HG12 ' A' ' 31' ' ' VAL . 15.9 mt -59.94 -28.16 67.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.822 HG23 ' OH ' ' A' ' 43' ' ' TYR . 88.9 m -62.21 -41.79 98.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.388 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.83 -58.54 7.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.704 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.854 HG23 ' OE1' ' A' ' 83' ' ' GLU . 5.7 p -54.92 -35.35 33.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.992 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.0 m -60.19 -52.61 64.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.62 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -58.39 -51.21 70.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.51 -30.92 61.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.747 HD13 ' CD1' ' A' ' 80' ' ' TYR . 17.3 mt -71.94 -28.37 63.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -78.65 -22.98 65.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.725 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -77.96 -39.64 41.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.733 0.301 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.8 m -76.55 -31.71 20.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.401 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.401 ' CZ ' ' HB2' ' A' ' 79' ' ' LYS . 22.6 m-85 -93.33 -27.26 16.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.034 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.22 15.83 49.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.781 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.413 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 31.1 m -101.39 168.19 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.64 162.08 23.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.11 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.822 ' OH ' HG23 ' A' ' 29' ' ' THR . 7.3 t80 -54.69 -53.69 51.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.863 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.05 -26.17 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -58.21 -32.94 68.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.975 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.472 HD12 ' CE1' ' A' ' 80' ' ' TYR . 32.9 mm -68.4 -67.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.852 ' CE1' HG22 ' A' ' 72' ' ' VAL . 10.8 m-30 -138.42 140.21 39.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.43 165.3 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.6 m -53.32 -41.7 65.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.7 p -72.78 -29.63 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.488 ' CG2' HG23 ' A' ' 72' ' ' VAL . 12.6 m -68.41 -48.42 64.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.217 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.31 -51.16 70.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.057 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -55.53 -29.31 58.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.921 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -64.23 -57.24 10.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.667 179.7 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.711 HD21 HD13 ' A' ' 66' ' ' LEU . 1.3 mp -58.24 -22.2 51.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.436 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.547 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -75.53 -58.05 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.977 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.77 -36.21 67.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 m -67.61 -53.17 30.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.834 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.894 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER 66.56 37.71 4.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.297 179.753 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.4 p -139.14 137.5 36.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.757 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.76 84.22 2.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 111.078 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.646 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -125.82 156.07 71.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.559 179.493 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.62 -45.63 0.12 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.592 2.194 . . . . 0.0 111.944 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.97 -50.42 55.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.896 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.646 HG23 ' HB3' ' A' ' 62' ' ' ASP . 40.2 t -46.39 -48.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.737 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.764 HD12 HD21 ' A' ' 77' ' ' LEU . 12.1 mt -69.44 -27.34 65.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.154 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.595 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -59.85 -37.53 79.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 110.753 179.803 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -72.73 -22.06 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.278 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.921 HD12 ' HB3' ' A' ' 54' ' ' LYS . 19.5 mm -63.91 134.26 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.16 131.14 50.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.04 -35.1 4.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.852 HG22 ' CE1' ' A' ' 47' ' ' PHE . 23.6 t -84.58 114.66 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.339 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.8 p -108.83 -178.15 3.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.24 -28.41 69.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -79.67 -45.58 18.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.019 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -57.95 -40.66 81.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.764 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -77.37 -11.84 59.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.277 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -86.46 -38.8 16.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.705 0.288 . . . . 0.0 111.408 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.403 ' HE2' ' CE1' ' A' ' 80' ' ' TYR . 7.9 ptmt -96.12 -48.69 5.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.577 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.831 ' O ' HG22 ' A' ' 84' ' ' VAL . 24.6 m-85 -80.21 -28.17 38.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 111.28 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.418 ' HA3' HD13 ' A' ' 77' ' ' LEU . . . -46.82 -46.76 19.19 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.001 -0.618 . . . . 0.0 113.036 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.72 -25.05 62.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.712 0.291 . . . . 0.0 111.289 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.854 ' OE1' HG23 ' A' ' 31' ' ' VAL . 2.4 mm-40 -96.25 -61.34 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.226 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.831 HG22 ' O ' ' A' ' 80' ' ' TYR . 0.4 OUTLIER -49.24 -55.83 3.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.759 0.314 . . . . 0.0 111.522 -179.758 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.566 HD11 HD11 ' A' ' 77' ' ' LEU . 26.4 mt -58.22 -27.49 32.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.245 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.33 -33.95 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.026 0.441 . . . . 0.0 110.401 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.518 HG11 ' HB3' ' A' ' 27' ' ' GLU . 12.1 t -90.7 -19.91 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.476 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.774 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -85.35 -20.23 30.25 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.217 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.2 -33.07 18.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.033 0.444 . . . . 0.0 110.701 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -44.34 91.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.776 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.774 ' HD2' HD23 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -62.4 -37.57 86.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.43 179.741 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -57.14 -30.0 64.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.786 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.41 -24.58 34.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -86.02 -37.11 19.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.109 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 91' ' ' TYR . 1.5 t -68.09 -26.21 65.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.146 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.0 m -83.82 139.37 40.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.966 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.79 141.95 25.01 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.585 2.19 . . . . 0.0 112.44 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 58.06 63.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.0 -55.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.804 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -74.24 149.28 40.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.1 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.891 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.487 ' H ' HD12 ' A' ' 2' ' ' ILE . 2.5 mp -81.78 -45.58 1.06 Allowed Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 111.459 0.17 . . . . 0.0 111.459 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 2' ' ' ILE . 51.9 Cg_exo -54.3 138.37 72.58 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.312 2.008 . . . . 0.0 112.324 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -151.76 135.17 16.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.36 -35.11 75.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.1 176.82 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -129.97 178.8 6.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -100.17 105.91 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.07 -31.65 71.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tt -116.19 127.06 54.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.1 m -105.72 173.73 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.188 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.71 177.71 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -137.65 30.45 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.989 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.8 t -152.53 153.68 8.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.09 86.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -72.73 -36.26 67.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.736 ' O ' HG13 ' A' ' 21' ' ' VAL . 1.8 ptp85 -70.33 -31.91 69.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -80.98 -28.66 35.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.46 -40.03 27.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.957 ' HB3' HD11 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -63.77 -46.22 86.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.754 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 16.5 m -61.0 -44.65 98.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.898 0.38 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.488 ' N ' HG23 ' A' ' 21' ' ' VAL . 31.9 mmtm -61.58 -41.15 97.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.558 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -30.01 68.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.736 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 t -67.87 -37.59 82.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.502 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.51 -43.92 96.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.24 -42.0 24.78 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.839 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.535 ' HB3' HG11 ' A' ' 87' ' ' VAL . 1.1 mm-40 -60.77 -52.7 63.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.863 0.363 . . . . 0.0 110.977 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.501 HD22 HG12 ' A' ' 84' ' ' VAL . 16.1 mt -58.04 -29.35 65.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.953 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.711 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 88.9 m -60.8 -43.21 98.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.524 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.22 -58.88 6.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.635 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.531 HG23 ' HG3' ' A' ' 83' ' ' GLU . 4.4 p -53.21 -36.66 26.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.048 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.1 m -58.36 -53.33 59.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.732 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HE2' ' CD2' ' A' ' 43' ' ' TYR . 19.4 mttt -62.41 -44.02 97.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.754 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.86 -25.24 56.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.986 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.892 HD11 ' HB3' ' A' ' 83' ' ' GLU . 52.6 mt -86.28 -28.85 23.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.431 ' HA2' HG22 ' A' ' 41' ' ' VAL . . . -79.4 -28.22 53.08 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.674 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HD2' HG13 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -74.07 -27.99 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.059 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.418 HG13 ' HD2' ' A' ' 37' ' ' LYS . 11.0 m -86.55 -35.3 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.259 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -90.61 -26.21 19.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.09 24.37 19.84 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.714 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.431 HG22 ' HA2' ' A' ' 36' ' ' GLY . 31.3 m -111.58 144.17 19.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.773 0.32 . . . . 0.0 110.982 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -59.45 160.15 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.056 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.711 ' CZ ' HG23 ' A' ' 29' ' ' THR . 5.2 t80 -57.08 -45.34 83.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.773 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.28 -26.8 68.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -58.51 -33.86 70.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.472 HD12 ' CE1' ' A' ' 80' ' ' TYR . 31.9 mm -68.9 -67.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.133 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.719 ' CE2' HG11 ' A' ' 84' ' ' VAL . 8.7 m-30 -138.53 172.71 12.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.413 ' HB3' HG22 ' A' ' 50' ' ' VAL . 1.4 m-20 -116.71 165.27 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.766 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.459 ' HA ' HD12 ' A' ' 52' ' ' LEU . 9.4 m -52.25 -29.64 23.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.413 HG22 ' HB3' ' A' ' 48' ' ' ASN . 6.4 m -74.56 -29.82 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.228 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.537 HG21 ' CG ' ' A' ' 47' ' ' PHE . 99.5 m -74.25 -50.87 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 49' ' ' THR . 2.2 mt -57.15 -47.33 81.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -59.37 -36.76 76.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.765 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.565 ' HG2' HG23 ' A' ' 69' ' ' ILE . 5.1 tptp -67.19 -57.24 7.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.68 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.595 HD21 ' CD1' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -59.4 -20.33 54.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.392 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.754 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -78.9 -53.88 6.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.707 0.289 . . . . 0.0 110.989 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.14 -40.69 86.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.625 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.3 t -63.94 -51.01 66.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.751 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.957 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER 65.98 41.77 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.094 179.771 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 t -139.25 148.15 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.73 84.79 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.852 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.588 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -125.13 156.97 68.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.637 179.706 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -86.99 -49.2 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.533 2.155 . . . . 0.0 112.867 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -35.18 69.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.588 HG23 ' HB3' ' A' ' 62' ' ' ASP . 39.1 t -59.82 -31.31 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.741 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.769 HD12 HD21 ' A' ' 77' ' ' LEU . 41.3 mt -83.69 -19.52 35.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.364 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.648 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -68.3 -36.28 79.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.896 0.379 . . . . 0.0 110.605 179.69 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -78.57 -15.73 58.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.597 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.565 HG23 ' HG2' ' A' ' 54' ' ' LYS . 22.9 mm -63.69 154.01 6.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.875 0.369 . . . . 0.0 111.063 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.419 ' N ' HG22 ' A' ' 69' ' ' ILE . 1.8 t70 -74.41 132.74 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.32 -3.17 82.66 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.899 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.507 ' CG2' HG23 ' A' ' 51' ' ' THR . 14.7 t -104.09 142.74 17.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.8 0.333 . . . . 0.0 111.032 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -137.48 178.74 6.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.402 ' CG ' HD21 ' A' ' 67' ' ' LEU . 7.5 mt-10 -63.88 -44.34 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -59.6 -42.65 93.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -65.12 -38.95 92.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.769 HD21 HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -81.43 -12.62 58.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.377 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -91.13 -36.78 13.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.752 0.311 . . . . 0.0 110.936 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.33 -58.14 2.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.683 ' O ' HG22 ' A' ' 84' ' ' VAL . 16.7 m-85 -76.84 -24.96 52.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.282 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.4 -48.33 21.63 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.802 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.65 -22.17 44.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.692 0.282 . . . . 0.0 111.343 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.892 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.13 -62.6 1.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.138 -179.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.719 HG11 ' CE2' ' A' ' 47' ' ' PHE . 1.3 m -48.35 -55.51 2.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.422 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.598 HD11 HD11 ' A' ' 77' ' ' LEU . 13.1 mt -57.56 -28.1 30.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.178 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.75 -32.74 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.113 0.483 . . . . 0.0 110.376 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.535 HG11 ' HB3' ' A' ' 27' ' ' GLU . 14.9 t -90.46 -19.66 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.308 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.787 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -86.89 -18.22 31.37 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.28 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -50.87 -36.85 40.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.789 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -62.33 -45.86 91.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.787 ' HD2' HD23 ' A' ' 88' ' ' LEU . 1.4 m-30 -57.21 -42.34 81.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.765 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.5 t -55.73 -30.97 62.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.79 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -28.05 56.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.778 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -94.93 -5.66 44.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.459 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.9 m -72.49 -45.43 59.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.9 151.94 61.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.26 179.39 1.56 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.474 2.116 . . . . 0.0 112.326 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 60.97 178.55 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -122.09 -47.5 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -160.74 158.45 28.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.934 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.6 pt -129.4 157.11 77.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.734 0.302 . . . . 0.0 111.164 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.23 123.91 13.71 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.656 2.237 . . . . 0.0 112.282 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -140.15 64.53 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -138.67 99.37 3.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 156.73 44.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -160.04 93.1 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -73.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.2 37.16 23.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.36 33.06 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.7 m -109.17 30.95 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.03 -177.88 6.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.35 163.45 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.0 p -59.65 138.68 20.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m 59.87 31.15 20.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -67.97 -36.47 80.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.706 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -68.42 -29.97 68.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.049 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.607 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -59.6 -65.1 0.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.032 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -59.27 -20.57 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.438 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -71.68 -42.54 67.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.237 -179.769 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.758 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 2.9 m -67.8 -31.71 53.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.371 . . . . 0.0 111.412 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -68.43 -46.37 70.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.722 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -57.97 -26.77 62.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.562 ' HB2' HD21 ' A' ' 59' ' ' LEU . 42.5 t -72.88 -36.27 67.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.034 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.9 -42.19 98.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.898 0.38 . . . . 0.0 110.68 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.0 -40.93 15.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.706 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.466 ' HB3' HG11 ' A' ' 87' ' ' VAL . 37.8 mt-10 -62.22 -54.23 43.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.881 0.372 . . . . 0.0 111.011 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.452 ' HA ' HG12 ' A' ' 31' ' ' VAL . 13.5 mt -58.44 -29.34 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.067 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.614 HG23 ' OH ' ' A' ' 43' ' ' TYR . 42.8 m -61.71 -37.34 83.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.415 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -66.37 -57.63 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.779 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.751 HG23 ' OE1' ' A' ' 83' ' ' GLU . 6.7 p -55.31 -33.4 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.035 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 m -58.38 -59.02 6.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.76 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -56.7 -48.4 77.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.28 -28.76 55.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.751 HD21 ' HG3' ' A' ' 83' ' ' GLU . 15.6 mt -79.22 -29.38 42.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.77 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.418 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -75.31 -25.3 68.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.557 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -29.77 46.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 111.008 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 m -86.01 -33.35 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.305 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 79' ' ' LYS . 21.7 m-85 -88.65 -27.03 21.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.08 27.37 12.39 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.583 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.418 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 12.3 m -116.93 175.06 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.968 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -89.63 162.19 15.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.091 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.614 ' OH ' HG23 ' A' ' 29' ' ' THR . 8.4 t80 -53.83 -49.06 69.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.836 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.45 -26.67 68.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.51 -31.49 71.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.04 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.42 HD12 ' CE1' ' A' ' 80' ' ' TYR . 28.3 mm -66.51 -67.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.056 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.713 ' HE2' HG11 ' A' ' 84' ' ' VAL . 8.7 m-30 -138.36 170.34 16.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -110.67 165.42 11.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.813 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.5 m -53.79 -29.3 39.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.0 m -75.69 -30.29 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.228 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.527 HG21 ' CG ' ' A' ' 47' ' ' PHE . 98.2 m -71.23 -54.58 10.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.4 mt -54.65 -51.2 66.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -58.9 -27.93 65.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.05 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.804 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -76.22 -60.18 2.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.982 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.767 HD21 HD22 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -55.35 -23.51 24.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.365 179.658 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.758 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -81.19 -46.4 14.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.29 -32.95 62.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.3 m -86.35 -48.15 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.747 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.1 OUTLIER 64.32 50.29 2.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.005 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.06 124.64 19.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.635 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.42 84.45 3.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.997 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.532 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.9 m-20 -125.69 151.58 70.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.63 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -86.96 -46.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.926 2.417 . . . . 0.0 112.838 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -37.01 51.31 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.2 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.532 HG23 ' HB3' ' A' ' 62' ' ' ASP . 62.1 t -52.57 -26.03 9.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.983 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.967 HD12 HD21 ' A' ' 77' ' ' LEU . 2.8 mt -83.53 -35.29 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.548 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.95 -40.06 56.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -71.98 -23.44 61.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.894 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.804 HD12 ' HB3' ' A' ' 54' ' ' LYS . 32.7 mm -63.97 147.97 11.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.05 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.69 129.3 38.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.29 -35.03 4.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.571 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.518 ' CG2' HG23 ' A' ' 51' ' ' THR . 19.6 t -81.02 129.63 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 111.162 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.96 -176.3 3.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -28.4 66.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -81.45 -47.18 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.051 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -57.76 -32.47 67.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.967 HD21 HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -85.2 -13.62 49.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.369 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.69 -30.96 17.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 15.8 ptmt -96.67 -39.67 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.52 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.797 ' O ' HG22 ' A' ' 84' ' ' VAL . 29.5 m-85 -95.99 -27.88 14.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.748 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.412 ' HA3' HD13 ' A' ' 77' ' ' LEU . . . -46.86 -28.19 3.7 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.177 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.76 -27.39 60.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.758 0.313 . . . . 0.0 111.232 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.751 ' HG3' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.22 -57.08 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 -179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.797 HG22 ' O ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -47.62 -58.09 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.803 0.335 . . . . 0.0 111.09 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.444 ' H ' HG23 ' A' ' 84' ' ' VAL . 29.5 mt -55.46 -25.03 16.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.7 t -61.2 -33.63 73.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.012 0.434 . . . . 0.0 110.31 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 27' ' ' GLU . 13.3 t -90.53 -19.8 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.322 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.708 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -85.75 -19.16 31.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.859 -179.436 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -51.12 -29.45 13.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.825 0.345 . . . . 0.0 111.236 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.3 mtmm -71.1 -32.78 69.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.708 ' HD2' HD23 ' A' ' 88' ' ' LEU . 4.5 m-30 -66.29 -53.08 40.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.057 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 m -56.26 -28.05 57.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.103 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.03 -28.4 62.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.049 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -104.14 -12.85 16.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.44 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.1 m -66.76 -25.67 66.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.673 0.273 . . . . 0.0 111.059 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.9 p -94.13 107.68 30.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.48 57.41 6.47 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.546 2.164 . . . . 0.0 112.451 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -172.79 -62.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.97 81.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -136.62 -66.83 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.883 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 112.413 -0.275 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mt 64.07 78.47 0.28 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.714 0.292 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.93 137.29 31.74 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.464 2.109 . . . . 0.0 112.311 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -167.05 112.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -137.37 -47.38 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.78 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.22 99.99 7.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.15 -30.57 7.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.49 105.47 15.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.79 175.25 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 mp -136.3 -57.69 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.977 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.7 m -105.96 135.43 44.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.49 38.92 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.049 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -133.23 155.44 49.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.1 p -107.6 -34.41 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.9 p -58.04 -28.94 64.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.32 -22.67 43.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.425 ' O ' HG13 ' A' ' 21' ' ' VAL . 7.7 tmm_? -61.26 -32.02 71.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.146 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -66.57 -41.81 88.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -78.84 -23.56 44.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.45 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -71.58 -43.72 65.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.147 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.718 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 21.0 m -68.93 -45.03 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.896 0.379 . . . . 0.0 111.303 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.491 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -60.38 -43.74 96.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.754 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -56.62 -31.08 63.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.903 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.526 ' HB2' HD21 ' A' ' 59' ' ' LEU . 12.7 t -68.51 -34.05 75.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.702 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -39.86 93.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.433 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.65 -44.42 10.62 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.667 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.564 ' HB3' HG11 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -60.65 -50.71 72.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.718 0.294 . . . . 0.0 111.013 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.65 -33.63 70.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.3 m -57.32 -43.5 83.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.617 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.21 -61.36 2.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.584 HG23 ' HG3' ' A' ' 83' ' ' GLU . 3.3 p -49.91 -38.37 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.305 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.9 m -57.46 -56.66 18.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -61.1 -44.5 97.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.6 t -54.09 -28.48 39.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.868 HD11 ' HB3' ' A' ' 83' ' ' GLU . 54.0 mt -83.11 -28.71 29.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.406 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -74.48 -20.72 79.5 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.807 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -26.98 22.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 111.217 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.403 HG23 ' CD2' ' A' ' 39' ' ' PHE . 16.6 m -90.55 -29.23 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.352 . . . . 0.0 111.402 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.438 ' CE1' ' HE3' ' A' ' 79' ' ' LYS . 32.8 m-85 -96.13 -27.02 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.12 27.1 12.71 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.727 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.406 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 15.3 m -115.97 155.38 17.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.79 0.329 . . . . 0.0 111.065 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.46 162.04 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.048 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -56.29 -55.82 28.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.797 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -58.98 -24.28 62.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -57.49 -30.59 65.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.416 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 24.1 mm -72.71 -67.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.816 ' CE2' HG11 ' A' ' 84' ' ' VAL . 7.3 m-30 -139.41 166.3 24.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -109.27 165.5 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.759 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 m -49.74 -40.69 41.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.103 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.0 m -66.38 -28.65 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.094 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.698 HG21 ' CG ' ' A' ' 47' ' ' PHE . 97.3 m -72.86 -56.04 5.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 71.0 mt -55.13 -49.34 72.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.62 -29.26 64.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 110.743 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.584 ' HG2' HG23 ' A' ' 69' ' ' ILE . 2.4 tptt -73.82 -59.41 2.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.726 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.598 HD21 ' CD1' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -57.73 -21.56 41.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.412 179.709 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.718 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -80.21 -48.91 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 111.022 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -54.87 -46.93 74.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -72.99 -48.13 39.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.543 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.0 OUTLIER 64.3 51.0 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.428 ' O ' HD22 ' A' ' 88' ' ' LEU . 1.7 p -139.07 146.39 40.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.625 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.69 84.35 2.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.971 0.415 . . . . 0.0 111.152 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.547 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 43.7 m-20 -125.9 156.21 71.83 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.425 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -81.58 -52.26 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.716 2.277 . . . . 0.0 112.533 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.64 -40.83 76.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.479 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.4 t -54.57 -26.27 16.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.882 0.372 . . . . 0.0 111.401 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.755 HD12 HD21 ' A' ' 77' ' ' LEU . 18.0 mt -88.72 -24.89 22.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.335 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.561 HD21 ' HG2' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -65.03 -37.57 88.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.911 0.386 . . . . 0.0 111.008 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -75.05 -16.65 60.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.459 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.584 HG23 ' HG2' ' A' ' 54' ' ' LYS . 27.3 mm -63.8 150.38 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 111.133 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -73.05 127.21 31.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.55 -31.09 7.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.586 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.555 ' CG2' HG23 ' A' ' 51' ' ' THR . 17.7 t -79.62 143.66 12.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.811 0.339 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.48 -177.39 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.561 ' HG2' HD21 ' A' ' 67' ' ' LEU . 56.7 mt-10 -67.31 -32.08 72.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -73.23 -40.23 64.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -68.56 -37.24 79.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.755 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -80.97 -15.9 54.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.209 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -90.46 -35.62 15.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.799 0.333 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.438 ' HE3' ' CE1' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -96.22 -58.2 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.255 -179.72 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.716 ' O ' HG22 ' A' ' 84' ' ' VAL . 24.9 m-85 -78.88 -24.27 44.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.441 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -49.19 -27.23 7.13 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.685 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.88 -25.54 60.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.826 0.346 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.868 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -95.85 -58.46 2.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.816 HG11 ' CE2' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -50.62 -54.04 10.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.341 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.501 HD11 HD11 ' A' ' 77' ' ' LEU . 25.8 mt -59.96 -27.63 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.128 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 t -58.73 -32.21 69.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.912 0.387 . . . . 0.0 110.461 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.564 HG11 ' HB3' ' A' ' 27' ' ' GLU . 14.4 t -90.39 -19.76 7.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.375 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.744 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -85.4 -21.46 28.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.861 -179.302 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -34.67 27.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 0.0 111.169 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -64.67 -41.17 96.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.744 ' HD2' HD23 ' A' ' 88' ' ' LEU . 3.2 m-30 -57.44 -49.74 75.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -30.97 60.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.59 -27.48 64.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.027 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -103.46 -16.44 15.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.386 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.6 m -66.75 -29.81 69.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.795 0.331 . . . . 0.0 110.967 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.1 t -127.32 144.04 49.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.71 -27.63 37.95 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.541 2.161 . . . . 0.0 112.202 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.8 178.41 7.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -93.29 131.98 37.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -81.83 -60.18 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.687 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.1 OUTLIER -130.75 90.91 38.78 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.713 0.292 . . . . 0.0 111.014 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.08 -61.03 0.63 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.618 2.212 . . . . 0.0 112.448 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.13 31.75 2.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -99.56 -175.16 2.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 62.84 172.22 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 61.68 152.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.04 111.54 18.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.01 -177.06 5.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.067 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -158.14 128.99 6.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.57 109.81 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.085 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.66 117.23 8.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.054 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -88.86 90.51 8.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 p -117.95 152.37 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.57 34.58 2.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.12 -25.36 39.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.059 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -55.37 -34.25 64.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -61.13 -45.08 96.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.94 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.86 -25.15 59.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.918 ' HB3' HD11 ' A' ' 59' ' ' LEU . 76.9 mmm -73.75 -50.43 20.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.2 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.74 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 35.7 m -58.5 -40.7 79.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.863 0.363 . . . . 0.0 111.264 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' N ' HG23 ' A' ' 21' ' ' VAL . 23.0 mmtt -60.27 -44.68 95.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.015 0.436 . . . . 0.0 110.691 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -58.27 -33.69 69.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.643 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.64 -37.61 87.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.519 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.08 -35.96 80.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.658 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.74 -54.2 4.67 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.604 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.554 ' HB3' HG11 ' A' ' 87' ' ' VAL . 22.4 mt-10 -56.73 -34.02 67.11 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.915 0.388 . . . . 0.0 110.985 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' HA ' ' CG1' ' A' ' 31' ' ' VAL . 15.0 mt -73.1 -21.32 60.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.829 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.878 HG23 ' OH ' ' A' ' 43' ' ' TYR . 59.3 m -68.82 -54.84 13.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.743 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 1.2 pp20? -56.9 -48.85 77.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.174 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.486 ' CG1' ' HA ' ' A' ' 28' ' ' LEU . 2.9 p -56.44 -41.99 73.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.776 0.322 . . . . 0.0 110.7 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.6 m -60.07 -48.12 83.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.83 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 69.9 mttt -61.54 -48.46 80.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t -56.18 -38.84 71.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.779 HD21 ' HG3' ' A' ' 83' ' ' GLU . 53.5 mt -63.57 -35.63 81.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.801 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.453 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -71.86 -23.48 77.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.655 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -79.99 -28.47 39.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.655 0.264 . . . . 0.0 111.035 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.1 m -92.16 -35.85 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.439 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 79' ' ' LYS . 25.2 m-85 -85.32 -27.12 26.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.059 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.88 33.87 7.15 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.733 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.453 HG23 ' HA2' ' A' ' 36' ' ' GLY . 4.3 m -123.98 168.17 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.733 0.301 . . . . 0.0 111.095 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -80.47 162.07 24.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.123 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.878 ' OH ' HG23 ' A' ' 29' ' ' THR . 13.0 t80 -61.48 -25.26 67.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.764 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.65 15.04 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.41 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -100.83 -29.37 12.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.721 0.296 . . . . 0.0 110.799 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.456 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 28.0 mm -70.31 -67.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.821 ' CE2' HG11 ' A' ' 84' ' ' VAL . 11.5 m-30 -139.99 156.79 46.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.664 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -96.26 165.27 12.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.789 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.9 m -50.76 -39.68 52.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.7 p -73.14 -29.3 28.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.954 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.554 HG21 ' CD1' ' A' ' 47' ' ' PHE . 91.5 m -70.68 -48.95 52.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.28 -49.01 75.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.189 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -57.26 -31.31 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.834 ' HB3' HD12 ' A' ' 69' ' ' ILE . 2.0 mptt -64.07 -55.98 18.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.511 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.996 HD23 HD11 ' A' ' 88' ' ' LEU . 10.9 mp -55.72 -23.78 30.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.943 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.74 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -81.32 -63.38 1.41 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.453 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -47.01 -29.66 2.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.255 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.1 m -79.63 -45.23 19.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.918 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER 62.44 30.37 17.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.991 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.2 m -139.11 127.89 23.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.831 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.41 ' CB ' HG23 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -88.02 84.77 6.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.793 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.547 ' O ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -125.29 144.71 48.4 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.964 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 2.9 Cg_exo -74.31 -54.81 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.611 2.207 . . . . 0.0 111.895 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -39.39 80.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.435 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.501 HG23 ' HB3' ' A' ' 62' ' ' ASP . 36.0 t -69.19 -32.43 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.49 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.706 HD21 ' HG ' ' A' ' 55' ' ' LEU . 17.3 mt -76.36 -29.23 57.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.768 HD21 ' HG3' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -66.13 -37.17 85.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.807 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -71.91 -9.68 58.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.409 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.834 HD12 ' HB3' ' A' ' 54' ' ' LYS . 17.5 mm -64.83 139.64 21.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.771 0.319 . . . . 0.0 110.95 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.66 109.94 3.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.777 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.96 -28.33 11.39 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.47 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.491 ' CG2' HG23 ' A' ' 51' ' ' THR . 24.8 t -82.99 128.03 39.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 111.136 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.71 -179.27 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.768 ' HG3' HD21 ' A' ' 67' ' ' LEU . 10.9 mp0 -60.5 -49.09 78.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.787 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -58.62 -36.21 73.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -73.78 -33.3 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.675 HD11 HD11 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -86.12 -15.96 39.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.281 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -91.42 -29.66 16.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.902 0.382 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 1.3 ttpt -96.36 -58.21 2.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.374 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.658 ' O ' HG22 ' A' ' 84' ' ' VAL . 27.7 m-85 -83.01 -26.72 30.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.483 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.451 ' HA3' HD13 ' A' ' 77' ' ' LEU . . . -47.28 -27.72 4.07 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.949 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.4 -27.97 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.758 0.313 . . . . 0.0 111.211 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.779 ' HG3' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.21 -59.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.272 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.821 HG11 ' CE2' ' A' ' 47' ' ' PHE . 2.3 m -49.08 -52.99 8.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.755 0.312 . . . . 0.0 111.339 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.675 HD11 HD11 ' A' ' 77' ' ' LEU . 17.4 mt -63.94 -33.09 59.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.21 -29.6 46.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.072 0.463 . . . . 0.0 110.384 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.554 HG11 ' HB3' ' A' ' 27' ' ' GLU . 5.4 t -90.59 -19.93 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.376 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.996 HD11 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -87.6 -17.85 31.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.086 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -50.88 -36.35 37.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.0 0.429 . . . . 0.0 110.818 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -62.26 -46.94 86.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.782 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.679 ' O ' HG22 ' A' ' 95' ' ' THR . 1.2 m-85 -59.23 -38.34 79.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.64 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 t -57.41 -28.95 63.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.783 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -85.3 -23.74 28.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.451 ' CG ' ' HE1' ' A' ' 20' ' ' MET . 16.3 m95 -85.89 -35.78 20.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.298 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 91' ' ' TYR . 1.6 t -66.84 -33.08 74.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.058 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.0 m -94.65 107.94 33.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.35 85.37 1.07 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.462 2.108 . . . . 0.0 112.326 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -144.19 88.13 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.057 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -171.35 166.17 7.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -143.71 117.59 9.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.882 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 pt -87.91 151.19 49.31 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.721 0.296 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.87 133.94 26.56 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.552 2.168 . . . . 0.0 112.358 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -113.47 40.38 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -128.82 112.6 14.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.85 142.53 27.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -150.16 -55.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -116.43 -179.86 3.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.24 167.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 11' ' ' VAL . 24.0 tp -94.34 -66.54 0.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 10' ' ' LEU . 5.4 m -155.69 102.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.09 92.25 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -151.16 -46.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.05 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 m -136.44 140.45 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.345 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.9 t 70.05 8.47 6.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.703 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.63 -47.64 7.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.908 0.385 . . . . 0.0 110.834 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.527 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -67.91 -33.67 75.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.041 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -58.3 -42.42 86.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -79.2 -29.59 42.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.471 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 78.2 mmm -65.99 -47.57 74.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.743 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 11.2 m -65.35 -43.23 94.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.945 0.403 . . . . 0.0 111.289 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 21' ' ' VAL . 1.4 mmtm -59.39 -42.7 92.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.768 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.71 -29.81 65.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.874 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.505 ' HB2' HD21 ' A' ' 59' ' ' LEU . 18.7 t -69.9 -33.52 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -39.61 95.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.899 0.38 . . . . 0.0 110.411 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.64 -43.81 9.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.553 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.555 ' HB3' HG11 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -60.51 -50.65 72.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.862 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.431 HD22 HG12 ' A' ' 84' ' ' VAL . 14.2 mt -59.5 -32.07 69.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.471 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 75.0 m -59.17 -36.13 74.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.382 . . . . 0.0 110.484 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -68.14 -60.95 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.944 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.667 HG23 ' HG3' ' A' ' 83' ' ' GLU . 5.3 p -52.45 -35.8 20.85 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.216 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -57.68 -49.33 76.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.699 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 8.3 mttt -65.46 -46.18 80.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 m -55.32 -24.01 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.039 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.889 HD11 ' HB3' ' A' ' 83' ' ' GLU . 59.7 mt -87.27 -29.75 21.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.838 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.41 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -75.85 -26.54 64.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.628 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -28.36 43.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.813 0.34 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.5 m -86.87 -34.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.222 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 79' ' ' LYS . 20.6 m-85 -88.11 -26.39 22.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.22 27.99 11.35 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.613 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.41 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 9.9 m -118.52 163.25 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 111.013 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -78.26 162.16 26.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.993 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.471 ' CZ ' HG23 ' A' ' 29' ' ' THR . 9.8 t80 -58.6 -34.15 70.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.782 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -80.59 -1.84 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.546 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.08 -30.73 22.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.78 0.324 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.486 HD12 ' CE1' ' A' ' 80' ' ' TYR . 35.8 mm -68.33 -67.39 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.746 ' HE2' HG11 ' A' ' 84' ' ' VAL . 11.0 m-30 -137.86 157.32 46.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.711 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -90.86 165.06 13.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.4 m -56.24 -37.96 70.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.85 -25.79 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.268 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 m -73.4 -44.45 58.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.0 mt -59.54 -48.12 82.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -59.68 -31.1 69.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.863 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -68.99 -60.14 2.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.746 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.925 HD21 HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -55.38 -23.0 22.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.324 179.625 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.743 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -81.24 -47.21 13.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.978 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.75 -30.53 61.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.8 p -85.49 -50.3 7.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER 62.32 48.28 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.891 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.98 124.96 19.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.682 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.99 84.45 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 111.085 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.548 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -125.55 155.99 71.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.332 179.446 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -88.09 -48.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.647 2.232 . . . . 0.0 112.889 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -76.59 -33.83 58.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.39 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.548 HG23 ' HB3' ' A' ' 62' ' ' ASP . 53.5 t -57.0 -23.73 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.286 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.925 HD13 HD21 ' A' ' 55' ' ' LEU . 1.7 mt -91.17 -43.68 9.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.958 0.409 . . . . 0.0 110.634 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.754 HD23 ' O ' ' A' ' 67' ' ' LEU . 3.9 tt -49.83 -38.47 35.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.355 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -71.17 -20.14 62.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.863 HD12 ' HB3' ' A' ' 54' ' ' LYS . 31.4 mm -65.63 134.8 29.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.688 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -53.99 110.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.073 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.23 -27.0 7.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.678 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 t -85.15 148.7 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.16 -177.06 5.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -68.31 -19.07 64.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.252 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -90.13 -47.22 7.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.767 0.318 . . . . 0.0 111.192 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -57.24 -41.84 80.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.131 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.88 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -76.26 -11.37 59.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.377 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -87.13 -46.3 9.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.665 0.269 . . . . 0.0 111.526 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 7.7 ptmt -91.37 -46.69 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.596 -179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.794 ' O ' HG22 ' A' ' 84' ' ' VAL . 19.8 m-85 -82.67 -25.12 33.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.273 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -47.76 -47.87 24.21 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.778 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.37 -23.59 57.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 111.262 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.889 ' HB3' HD11 ' A' ' 35' ' ' LEU . 2.0 tp10 -95.38 -61.95 1.38 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.159 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -47.96 -58.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.276 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.458 HD11 HD11 ' A' ' 77' ' ' LEU . 11.4 mt -55.47 -28.55 22.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.12 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -33.52 67.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.96 0.41 . . . . 0.0 110.297 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.555 HG11 ' HB3' ' A' ' 27' ' ' GLU . 13.6 t -90.82 -19.67 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.415 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 84' ' ' VAL . 0.5 OUTLIER -85.73 -15.31 42.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.928 -179.437 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -57.08 -32.22 66.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.939 0.4 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -67.18 -25.17 66.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.382 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.534 ' CE2' ' HA ' ' A' ' 88' ' ' LEU . 2.6 m-30 -78.07 -38.48 44.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.743 0.306 . . . . 0.0 111.171 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.4 t -63.84 -29.16 70.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.85 -15.66 24.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.476 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -114.11 13.32 18.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.531 0.205 . . . . 0.0 111.457 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.6 t -88.13 -32.9 18.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.844 0.354 . . . . 0.0 110.972 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.0 m -98.74 107.71 44.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.86 -42.79 3.0 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.371 2.048 . . . . 0.0 112.332 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.02 149.47 33.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -82.39 -28.53 31.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.976 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 62.87 86.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 p . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.162 -0.923 . . . . 0.0 111.035 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.154 0 N-CA-C 112.878 -0.089 . . . . 0.0 112.878 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.8 pt 42.68 53.27 8.57 Favored Pre-proline 0 N--CA 1.465 0.294 0 CA-C-O 120.936 0.398 . . . . 0.0 111.705 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -68.87 133.94 28.57 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.535 2.157 . . . . 0.0 112.273 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -148.18 115.6 6.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -176.04 -41.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.16 155.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -160.33 -67.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.67 -51.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.583 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -120.09 118.95 31.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.188 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -165.12 87.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.751 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -103.36 -66.8 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.212 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.87 172.38 12.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.39 -39.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.9 t 69.12 -68.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.238 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.5 p -175.66 36.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -25.87 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -57.29 -32.47 66.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.039 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.03 -36.5 75.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.013 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.98 -29.19 55.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.026 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.952 ' HB3' HD11 ' A' ' 59' ' ' LEU . 83.1 mmm -73.7 -48.77 29.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.989 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.715 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 32.7 m -57.85 -42.91 83.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.885 0.374 . . . . 0.0 111.048 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' HG23 ' A' ' 21' ' ' VAL . 5.6 mmpt? -62.59 -41.27 98.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.653 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -30.45 69.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.75 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.412 ' HG ' ' HE2' ' A' ' 91' ' ' TYR . 10.3 t -66.24 -38.17 87.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.567 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.1 -43.03 99.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.24 -47.04 13.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.854 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.581 ' HB3' HG11 ' A' ' 87' ' ' VAL . 31.4 mt-10 -58.73 -51.88 68.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.324 . . . . 0.0 111.125 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.484 HD21 ' CD1' ' A' ' 88' ' ' LEU . 13.3 mt -56.74 -32.26 65.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.796 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 85.3 m -59.64 -40.74 88.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.887 0.375 . . . . 0.0 110.469 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -61.31 -59.32 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.742 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.556 HG23 ' HG3' ' A' ' 83' ' ' GLU . 3.7 p -54.04 -36.61 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.925 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.5 m -58.56 -55.15 38.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -57.47 -48.44 79.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.049 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -55.34 -27.66 48.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.853 HD11 ' HB3' ' A' ' 83' ' ' GLU . 31.6 mt -82.03 -29.47 31.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -76.32 -24.79 67.46 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.749 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -78.32 -30.53 48.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.804 0.335 . . . . 0.0 111.002 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.1 m -80.08 -34.77 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.283 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.412 ' CE1' ' HD2' ' A' ' 79' ' ' LYS . 30.3 m-85 -90.46 -26.82 19.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.19 26.32 14.45 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.532 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.42 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 30.2 m -111.69 175.08 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.021 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -87.9 161.88 17.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.02 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.796 ' CZ ' HG23 ' A' ' 29' ' ' THR . 11.6 t80 -56.65 -35.53 68.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.761 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -73.19 -27.74 61.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -58.35 -38.83 78.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.475 HD12 ' CE1' ' A' ' 80' ' ' TYR . 33.5 mm -65.59 -67.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.955 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.754 ' CE2' HG11 ' A' ' 84' ' ' VAL . 6.2 m-30 -139.9 151.92 46.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.716 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -97.27 165.3 12.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.757 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.9 m -51.47 -30.64 20.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.2 m -71.21 -30.47 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.271 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.725 HG21 ' CG ' ' A' ' 47' ' ' PHE . 87.2 m -72.17 -58.36 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mt -51.24 -49.69 60.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.322 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -58.29 -36.5 73.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.809 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.533 ' CG ' HD12 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -67.31 -60.06 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.803 179.751 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.741 HD23 HD21 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -56.42 -22.45 31.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.587 179.775 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.715 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -74.37 -53.6 9.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.709 0.29 . . . . 0.0 111.051 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -45.25 87.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.908 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -53.75 53.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.952 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER 67.05 42.06 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.078 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 m -139.27 139.22 37.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.401 ' HB2' HG23 ' A' ' 85' ' ' ILE . 11.1 p -95.52 84.47 3.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.831 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.545 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -125.4 156.81 69.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.83 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -88.49 -48.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 122.673 2.249 . . . . 0.0 112.735 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -40.54 70.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 110.826 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.545 HG23 ' HB3' ' A' ' 62' ' ' ASP . 32.1 t -54.96 -27.19 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.895 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.754 HD12 HD21 ' A' ' 77' ' ' LEU . 56.2 mt -88.81 -23.89 22.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.323 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.777 HD21 ' HG2' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -61.97 -36.45 81.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.933 0.396 . . . . 0.0 110.695 179.666 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -78.24 -18.47 55.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.481 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.533 HD12 ' CG ' ' A' ' 54' ' ' LYS . 17.5 mm -63.65 144.1 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.93 0.395 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.26 128.14 35.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.0 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.56 -25.6 23.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.747 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.568 HG22 ' CE1' ' A' ' 47' ' ' PHE . 21.9 t -93.56 117.75 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.91 0.386 . . . . 0.0 111.089 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.1 p -106.05 -171.0 1.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.777 ' HG2' HD21 ' A' ' 67' ' ' LEU . 3.5 mt-10 -70.52 -45.23 65.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.9 -31.16 71.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.04 -37.77 78.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.754 HD21 HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -82.22 -15.99 51.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.347 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.1 -30.35 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.848 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.412 ' HD2' ' CE1' ' A' ' 39' ' ' PHE . 27.1 ttpt -96.7 -57.71 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.233 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.65 ' O ' HG22 ' A' ' 84' ' ' VAL . 25.4 m-85 -80.02 -24.57 40.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.511 -179.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.52 -33.07 11.24 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.76 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.93 -24.43 65.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.32 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.853 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.15 -61.76 1.39 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.129 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.754 HG11 ' CE2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -47.96 -58.18 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.328 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.498 ' H ' HG23 ' A' ' 84' ' ' VAL . 19.3 mt -54.54 -25.99 15.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -34.8 75.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.023 0.439 . . . . 0.0 110.132 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.581 HG11 ' HB3' ' A' ' 27' ' ' GLU . 19.5 t -90.89 -22.52 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.412 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.741 HD21 HD23 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -78.99 -27.51 43.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.627 -179.48 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -47.33 -30.66 3.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.955 0.407 . . . . 0.0 111.161 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -68.06 -46.6 70.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.518 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.488 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 1.1 m-30 -58.93 -39.42 81.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.661 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.464 ' HA ' HG22 ' A' ' 95' ' ' THR . 0.6 OUTLIER -60.76 -27.27 67.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.701 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -82.25 -27.4 32.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -87.21 -33.78 19.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.985 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.464 HG22 ' HA ' ' A' ' 92' ' ' SER . 9.3 t -66.8 -39.64 87.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.108 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.74 107.79 55.7 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.66 169.16 20.73 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.416 2.077 . . . . 0.0 112.322 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -169.37 -46.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.71 114.77 3.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.44 -51.22 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.16 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 28.0 mm -116.66 89.58 28.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.741 0.305 . . . . 0.0 111.104 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.78 116.63 4.54 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.563 2.175 . . . . 0.0 112.338 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -137.94 166.74 23.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -134.78 163.84 28.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.981 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -92.03 119.15 31.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.837 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -117.64 33.09 5.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -145.43 20.34 1.53 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.086 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.614 ' HB2' ' CB ' ' A' ' 97' ' ' PRO . . . 50.34 55.42 9.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 111.252 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 tp -77.91 158.08 29.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t 64.17 145.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -132.11 66.6 1.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -151.71 34.47 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.56 146.05 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.7 p -90.04 74.31 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -37.77 16.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.12 -36.77 29.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -60.05 -39.73 86.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.69 -32.24 62.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.778 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -52.74 62.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.956 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 56' ' ' ALA . 4.5 m -63.21 -35.11 70.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.85 0.357 . . . . 0.0 111.083 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -62.53 -57.83 9.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.577 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -57.2 -28.44 62.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.664 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.429 ' HA ' ' OH ' ' A' ' 91' ' ' TYR . 25.6 t -64.6 -44.83 89.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.575 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -58.47 -33.65 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.673 179.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -78.01 -47.42 8.48 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.562 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.523 ' HB3' HG11 ' A' ' 87' ' ' VAL . 3.0 mt-10 -59.64 -51.96 67.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.791 0.329 . . . . 0.0 110.974 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.596 HD21 ' CD1' ' A' ' 88' ' ' LEU . 13.3 mt -56.52 -33.66 66.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.804 HG23 ' OH ' ' A' ' 43' ' ' TYR . 80.5 m -60.12 -31.89 70.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.36 179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.0 -58.36 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.608 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.624 HG23 ' HG3' ' A' ' 83' ' ' GLU . 5.6 p -55.95 -34.14 37.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.1 m -57.12 -48.66 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.634 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HE2' ' CD2' ' A' ' 43' ' ' TYR . 11.1 mttt -66.88 -42.4 85.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.743 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.7 m -57.57 -31.62 66.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.772 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.807 HD21 ' HB2' ' A' ' 83' ' ' GLU . 59.9 mt -76.76 -27.88 55.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.538 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -73.82 -19.84 79.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.727 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -90.12 -30.34 17.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 111.229 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.8 m -85.35 -29.63 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.362 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.448 ' CZ ' ' HG2' ' A' ' 79' ' ' LYS . 35.0 m-85 -96.28 -27.11 15.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.076 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.22 34.98 6.17 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.677 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.538 HG23 ' HA2' ' A' ' 36' ' ' GLY . 4.9 m -126.27 159.75 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 111.096 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.53 162.1 27.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.804 ' OH ' HG23 ' A' ' 29' ' ' THR . 11.6 t80 -58.79 -25.15 62.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.048 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -91.48 15.32 12.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.353 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.09 -28.28 11.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.753 0.311 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.462 HD13 ' CZ ' ' A' ' 80' ' ' TYR . 28.1 mm -70.89 -67.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.738 ' HE2' HG11 ' A' ' 84' ' ' VAL . 14.7 m-30 -137.94 166.25 24.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -100.51 165.19 11.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.0 m -53.92 -45.62 71.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.63 -25.36 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.433 ' CG2' HG23 ' A' ' 72' ' ' VAL . 8.3 m -72.49 -49.61 31.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.027 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.6 mt -56.65 -48.22 78.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.024 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.569 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -57.92 -26.49 62.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.919 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.757 ' HB3' HD12 ' A' ' 69' ' ' ILE . 7.6 tptt -66.09 -57.84 6.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.793 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.063 HD21 HD13 ' A' ' 66' ' ' LEU . 1.9 mp -53.96 -25.32 20.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.272 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.659 ' O ' HG12 ' A' ' 21' ' ' VAL . . . -82.76 -51.03 8.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.304 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -47.27 -28.88 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.1 t -91.85 -45.75 8.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.773 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.879 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.2 OUTLIER 66.43 45.88 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.027 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -139.04 136.37 35.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.726 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.01 84.04 3.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.937 0.399 . . . . 0.0 111.101 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.657 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -126.07 154.44 74.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.319 179.324 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -79.73 -46.47 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.737 2.291 . . . . 0.0 112.5 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.15 -36.7 74.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.351 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.657 HG23 ' HB3' ' A' ' 62' ' ' ASP . 74.0 t -55.15 -59.06 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.437 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.063 HD13 HD21 ' A' ' 55' ' ' LEU . 5.8 mt -57.64 -28.27 63.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.11 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.569 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -58.91 -41.8 88.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.053 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -71.96 -17.68 62.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.395 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.757 HD12 ' HB3' ' A' ' 54' ' ' LYS . 23.5 mm -63.95 133.02 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 111.061 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -60.03 127.13 30.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.42 -28.37 15.76 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.569 HG22 ' CE1' ' A' ' 47' ' ' PHE . 25.0 t -91.47 116.92 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 111.086 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 38.6 p -106.61 -178.12 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.81 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -30.13 70.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -78.18 -33.86 49.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -69.01 -31.71 70.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.835 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -88.58 -16.53 32.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.15 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -91.24 -29.32 17.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.351 . . . . 0.0 111.064 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.448 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -96.52 -52.15 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.458 -179.754 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.691 ' O ' HG22 ' A' ' 84' ' ' VAL . 27.7 m-85 -88.63 -24.86 22.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.525 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -47.5 -30.51 6.27 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.812 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.99 -29.0 67.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.756 0.312 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.807 ' HB2' HD21 ' A' ' 35' ' ' LEU . 2.7 tp10 -92.87 -60.36 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.057 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.738 HG11 ' HE2' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -47.88 -63.75 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.21 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.592 HD11 HD11 ' A' ' 77' ' ' LEU . 26.0 mt -50.8 -26.7 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.269 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -60.37 -33.44 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.039 0.447 . . . . 0.0 110.273 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.523 HG11 ' HB3' ' A' ' 27' ' ' GLU . 16.3 t -90.66 -19.71 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.195 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.707 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -88.24 -12.82 42.63 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -179.181 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -54.42 -34.01 60.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.888 0.375 . . . . 0.0 111.106 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -67.26 -31.5 71.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.879 ' HB3' HD13 ' A' ' 59' ' ' LEU . 7.4 m-30 -65.83 -53.1 44.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.5 t -54.79 -30.25 56.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -76.76 -29.21 56.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -104.54 13.3 31.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.219 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 75.2 m -76.64 -31.45 57.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.909 0.385 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.9 m -113.37 115.97 46.8 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.614 ' CB ' ' HB2' ' A' ' 9' ' ' ALA . 48.1 Cg_endo -68.58 -46.38 1.91 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.424 2.083 . . . . 0.0 112.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.14 107.27 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -92.9 96.57 10.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -163.7 -46.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.898 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.8 mt -113.95 88.24 14.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.647 0.261 . . . . 0.0 111.107 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -51.97 116.19 2.62 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.592 2.195 . . . . 0.0 112.263 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -145.25 135.36 23.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.922 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -73.62 85.21 1.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.31 89.15 1.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.816 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -143.32 35.11 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.68 131.55 43.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.99 170.23 17.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.711 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -130.51 155.31 46.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.005 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 12' ' ' ALA . 11.1 p -130.94 -45.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.477 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -85.46 75.99 10.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.174 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -176.67 -40.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.2 m -128.24 159.02 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.56 85.65 2.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -91.44 -17.16 26.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.281 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.643 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.1 ptt-85 -56.4 -33.76 66.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.721 0.296 . . . . 0.0 111.398 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -60.31 -40.32 90.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.055 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -81.99 -29.81 31.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.416 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -66.82 -44.28 81.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.756 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 10.2 m -68.81 -44.4 81.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.184 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -60.17 -44.43 95.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.034 0.445 . . . . 0.0 110.699 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -56.44 -30.47 62.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.708 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.522 ' HB2' HD21 ' A' ' 59' ' ' LEU . 15.4 t -69.66 -31.22 69.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.709 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -43.08 96.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.58 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.78 -43.7 14.03 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.437 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.526 ' HB3' HG11 ' A' ' 87' ' ' VAL . 4.8 mm-40 -60.26 -49.62 76.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.468 ' HA ' HG12 ' A' ' 31' ' ' VAL . 12.2 mt -59.82 -29.87 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.681 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.434 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 89.6 m -60.22 -37.24 79.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.109 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.87 -60.08 3.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.568 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.845 HG23 ' OE2' ' A' ' 83' ' ' GLU . 2.8 p -50.49 -38.12 15.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.835 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.0 m -60.16 -51.16 70.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.579 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HE2' ' CG ' ' A' ' 43' ' ' TYR . 6.0 mttt -61.12 -50.84 71.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.804 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.2 m -53.09 -29.18 29.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' ' 83' ' ' GLU . 52.3 mt -78.47 -24.37 46.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -80.81 -27.15 51.65 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.737 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -82.18 -31.92 30.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 111.12 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.6 m -79.36 -34.43 16.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.275 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.44 ' CZ ' ' HG2' ' A' ' 79' ' ' LYS . 34.6 m-85 -95.72 -27.14 15.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.028 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.04 26.7 13.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.413 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 30.4 m -112.93 158.11 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 111.068 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -70.14 162.4 28.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.056 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.434 ' CZ ' HG23 ' A' ' 29' ' ' THR . 7.8 t80 -61.65 -47.49 85.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.756 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -64.04 -29.15 70.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.36 -30.39 69.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.416 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 34.3 mm -67.32 -67.12 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.55 ' CG ' HG21 ' A' ' 51' ' ' THR . 12.9 m-30 -137.85 177.19 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' HB3' HG22 ' A' ' 50' ' ' VAL . 6.8 t30 -121.07 165.37 15.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.808 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -50.97 -34.78 30.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.144 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.402 HG22 ' HB3' ' A' ' 48' ' ' ASN . 5.5 m -71.13 -28.53 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.55 HG21 ' CG ' ' A' ' 47' ' ' PHE . 99.3 m -73.89 -54.77 7.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.8 mt -55.57 -48.62 74.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.143 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -58.64 -36.19 73.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.074 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.866 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -70.13 -59.95 2.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.951 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.849 HD21 HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -55.11 -23.54 21.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.203 179.63 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.756 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -85.88 -46.68 10.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.27 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -55.07 -29.52 57.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.086 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.0 -46.39 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.823 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.528 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.0 OUTLIER 63.98 52.67 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.115 0.483 . . . . 0.0 110.853 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 t -139.13 136.67 35.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.474 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.3 p -89.16 83.99 6.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.043 0.449 . . . . 0.0 111.304 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.519 ' HB3' HG23 ' A' ' 65' ' ' VAL . 88.6 m-20 -126.19 139.54 34.73 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.323 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 62' ' ' ASP . 5.5 Cg_exo -76.61 -48.56 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.567 2.178 . . . . 0.0 112.451 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -69.28 -37.45 77.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.397 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.519 HG23 ' HB3' ' A' ' 62' ' ' ASP . 97.9 t -53.78 -44.66 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.604 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.849 HD13 HD21 ' A' ' 55' ' ' LEU . 1.6 mt -62.98 -34.54 77.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 110.49 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.541 HD21 ' HG2' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -54.59 -40.8 69.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.146 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -71.6 -18.39 62.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.866 HD12 ' HB3' ' A' ' 54' ' ' LYS . 31.0 mm -68.84 135.86 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.22 127.96 34.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.81 -26.79 23.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.621 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.474 ' CG2' HG23 ' A' ' 51' ' ' THR . 14.4 t -89.98 139.45 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 111.111 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.2 p -132.33 178.92 6.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.541 ' HG2' HD21 ' A' ' 67' ' ' LEU . 2.2 mm-40 -61.44 -38.41 87.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -68.61 -48.09 65.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -31.43 72.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.778 HD21 HD12 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -85.02 -22.13 29.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -85.19 -28.79 25.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.682 0.277 . . . . 0.0 111.248 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.44 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -96.16 -51.31 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 111.323 -179.787 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.658 ' CD1' HD13 ' A' ' 35' ' ' LEU . 22.1 m-85 -83.33 -13.0 55.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.603 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.447 ' HA2' HG22 ' A' ' 84' ' ' VAL . . . -53.38 -38.44 57.48 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.779 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.26 -28.57 69.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.699 0.285 . . . . 0.0 111.35 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.845 ' OE2' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -96.37 -57.84 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.457 -179.619 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.771 ' O ' HD12 ' A' ' 88' ' ' LEU . 33.2 m -47.24 -44.92 8.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.971 0.415 . . . . 0.0 111.54 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.656 HG12 HG23 ' A' ' 84' ' ' VAL . 2.0 mm -70.06 -25.94 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.295 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.9 t -59.71 -32.72 70.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.384 . . . . 0.0 110.5 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.526 HG11 ' HB3' ' A' ' 27' ' ' GLU . 17.2 t -90.46 -29.06 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.189 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.771 HD12 ' O ' ' A' ' 84' ' ' VAL . 0.8 OUTLIER -73.58 -22.85 59.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.426 -179.55 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -54.13 -25.11 20.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.702 0.287 . . . . 0.0 111.182 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -73.35 -29.62 62.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.168 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.678 ' HD2' HD23 ' A' ' 88' ' ' LEU . 2.0 m-30 -72.32 -53.28 12.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.079 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -57.96 -22.98 51.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.338 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -95.07 -17.56 21.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.385 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -105.36 -13.63 15.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.555 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 t -66.7 -32.21 73.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 111.146 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.5 m -93.83 126.89 47.65 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.76 136.87 21.51 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.448 2.099 . . . . 0.0 112.347 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.84 87.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -123.62 -46.54 2.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.956 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -160.03 133.03 6.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.452 HD12 ' CB ' ' A' ' 4' ' ' GLU . 1.6 pt -144.62 140.93 17.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.52 0.2 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.624 ' HB2' ' HB1' ' A' ' 98' ' ' ALA . 52.1 Cg_exo -54.2 -31.33 65.47 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.395 2.064 . . . . 0.0 112.239 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.498 ' CG ' ' HB2' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -62.41 153.98 29.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -176.92 -65.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -100.93 -63.69 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -130.79 -176.24 3.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.28 -177.49 3.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.13 37.63 2.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.85 130.77 7.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.536 ' O ' HG12 ' A' ' 11' ' ' VAL . 15.3 t -123.91 38.42 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -140.25 179.15 6.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.41 148.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 15' ' ' SER . 12.2 p -135.59 -45.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.485 ' N ' HG13 ' A' ' 14' ' ' VAL . 5.8 t -99.83 31.53 3.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.47 -33.35 64.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.002 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -70.69 -39.21 73.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -35.39 78.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -72.65 -31.4 65.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.9 mtp -59.45 -57.16 14.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.686 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 3.8 m -59.19 -35.07 55.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.227 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -64.28 -61.67 2.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.595 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -54.12 -28.7 41.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.576 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.4 t -63.72 -44.63 93.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.382 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -36.48 69.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.709 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.21 -41.08 22.59 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.598 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.506 ' HB3' HG11 ' A' ' 87' ' ' VAL . 35.0 mm-40 -62.22 -54.33 42.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.347 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.444 ' HA ' HG12 ' A' ' 31' ' ' VAL . 15.4 mt -57.7 -28.23 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.404 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 85.8 m -61.81 -42.75 99.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.4 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -61.0 -58.47 8.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.73 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 28' ' ' LEU . 5.1 p -53.93 -38.01 35.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.977 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.4 m -58.97 -49.28 78.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -64.02 -45.23 89.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.898 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.1 m -56.2 -33.84 65.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.703 HD13 ' CD1' ' A' ' 80' ' ' TYR . 51.9 mt -73.43 -23.9 60.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.994 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.443 ' HA2' HG23 ' A' ' 41' ' ' VAL . . . -73.99 -45.16 27.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.789 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -64.47 -22.54 66.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.69 0.281 . . . . 0.0 111.403 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.3 m -92.18 -35.64 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.538 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.536 ' O ' HG13 ' A' ' 41' ' ' VAL . 48.4 m-85 -100.41 17.48 21.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.319 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.02 25.12 9.49 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.063 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 39' ' ' PHE . 28.9 m -112.49 149.7 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.059 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -71.38 162.29 29.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.288 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.404 ' CZ ' HG23 ' A' ' 29' ' ' THR . 6.0 t80 -54.68 -53.79 50.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.971 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -25.22 63.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.067 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -59.1 -42.89 91.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.474 HD12 ' CE1' ' A' ' 80' ' ' TYR . 46.7 mm -60.69 -67.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.99 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.664 ' CE2' HG11 ' A' ' 84' ' ' VAL . 16.5 m-30 -137.11 -179.88 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -118.34 165.05 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.643 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.485 ' HA ' HD12 ' A' ' 52' ' ' LEU . 19.9 m -54.76 -41.72 70.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.17 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.9 p -73.14 -26.83 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.335 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.567 ' CG2' HG23 ' A' ' 72' ' ' VAL . 2.3 m -73.76 -48.47 31.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.119 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 49' ' ' THR . 2.6 mt -57.05 -46.17 82.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.966 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -59.83 -29.74 68.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.816 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.83 ' HB3' HD12 ' A' ' 69' ' ' ILE . 8.8 mptt -63.16 -57.58 10.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.801 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.524 ' CG ' HD22 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -57.63 -25.31 59.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.324 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.686 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -81.33 -50.02 10.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.014 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -48.65 -28.35 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.98 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.6 -44.77 8.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.726 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.881 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.2 OUTLIER 67.11 49.0 1.14 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.716 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -139.17 148.98 43.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.743 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.9 p -103.07 84.54 2.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 111.059 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.536 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 2.3 m-20 -125.63 155.11 72.8 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.805 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -89.24 -51.08 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.882 2.388 . . . . 0.0 112.806 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -40.34 78.07 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.773 0.321 . . . . 0.0 111.04 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.481 HG23 ' HB3' ' A' ' 62' ' ' ASP . 47.9 t -52.43 -26.29 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.723 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.087 HD12 HD21 ' A' ' 77' ' ' LEU . 25.5 mt -86.24 -29.68 22.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.042 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.556 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -55.41 -35.15 65.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.338 179.49 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.61 -21.53 44.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.108 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.83 HD12 ' HB3' ' A' ' 54' ' ' LYS . 17.3 mm -63.71 134.4 28.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.87 0.367 . . . . 0.0 110.961 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.47 116.78 7.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.981 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.21 -27.32 9.61 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.628 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.618 HG22 ' CE1' ' A' ' 47' ' ' PHE . 21.8 t -98.07 122.15 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 111.232 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.6 p -112.19 -177.41 3.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -66.62 -29.6 69.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -78.15 -34.97 49.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -71.33 -36.94 71.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.048 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.087 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -82.91 -11.85 57.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -91.15 -32.76 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.788 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.44 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -96.63 -48.28 5.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.263 -179.733 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.703 ' CD1' HD13 ' A' ' 35' ' ' LEU . 26.0 m-85 -87.29 -23.85 24.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.642 -179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.411 ' HA3' HD13 ' A' ' 77' ' ' LEU . . . -47.95 -27.09 4.74 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.949 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.58 -25.64 59.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.737 0.303 . . . . 0.0 111.164 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.627 ' CG ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -96.18 -58.68 2.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.263 -179.825 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.668 ' O ' HD12 ' A' ' 88' ' ' LEU . 3.1 m -48.99 -54.34 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.506 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.492 ' H ' HG23 ' A' ' 84' ' ' VAL . 23.4 mt -60.16 -26.03 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.5 t -59.98 -33.83 72.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.037 0.446 . . . . 0.0 110.322 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.506 HG11 ' HB3' ' A' ' 27' ' ' GLU . 13.8 t -90.68 -19.81 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.446 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.785 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -84.99 -21.95 29.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.759 -179.312 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -50.69 -32.66 20.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.898 0.38 . . . . 0.0 111.026 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -67.5 -30.93 70.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.881 ' HB3' HD13 ' A' ' 59' ' ' LEU . 8.2 m-30 -66.93 -53.44 31.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.8 t -54.26 -30.13 49.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -73.71 -27.97 61.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -99.05 -16.48 18.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.346 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.7 m -66.68 -29.31 69.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.853 0.358 . . . . 0.0 111.001 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.0 t -84.65 117.89 69.78 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.807 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.51 -6.92 19.56 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.467 2.111 . . . . 0.0 112.636 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.624 ' HB1' ' HB2' ' A' ' 3' ' ' PRO . . . -100.4 -53.13 3.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.822 0.344 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -99.98 101.27 12.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -105.11 -59.36 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 112.627 -0.189 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.498 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 10.8 mm -83.45 -45.87 0.81 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.457 0.17 . . . . 0.0 111.392 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 2' ' ' ILE . 31.2 Cg_exo -59.41 130.17 34.55 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.299 1.999 . . . . 0.0 112.238 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -137.46 99.37 3.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -125.02 28.31 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.11 152.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -146.55 -54.31 0.25 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.3 113.22 2.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -133.4 136.77 45.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.8 mt -108.75 117.94 35.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.39 -66.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 59.1 42.69 18.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.176 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -68.59 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.57 75.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 m 59.13 84.51 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -74.43 -32.43 62.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.73 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -69.41 -37.51 77.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -74.1 -29.5 61.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HA ' ' CE ' ' A' ' 22' ' ' LYS . 6.9 tt0 -75.55 -22.27 57.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.34 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.446 ' HE3' ' CD1' ' A' ' 59' ' ' LEU . 60.0 mmm -82.95 -33.05 26.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.305 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 17' ' ' ARG . 1.5 m -73.59 -46.83 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.537 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.449 ' N ' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -65.12 -40.03 93.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.776 0.322 . . . . 0.0 110.676 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -31.16 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.467 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.567 ' HB2' HD21 ' A' ' 59' ' ' LEU . 4.8 t -69.34 -34.78 75.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.51 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -40.9 93.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.764 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.23 -42.0 20.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.692 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.538 ' HB3' HG11 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -61.71 -50.95 70.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 28' ' ' LEU . 13.0 mt -59.42 -27.75 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.024 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.789 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 90.6 m -62.69 -44.03 97.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.918 0.39 . . . . 0.0 110.387 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.55 -58.11 9.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.805 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.796 HG23 ' CD ' ' A' ' 83' ' ' GLU . 3.2 p -50.94 -42.94 24.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.17 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.7 m -60.07 -49.81 76.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.8 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 27.1 mttt -59.69 -51.02 71.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.2 t -55.75 -30.57 61.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.686 HD11 ' HB3' ' A' ' 83' ' ' GLU . 52.0 mt -75.47 -26.17 57.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.824 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.427 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -80.69 -30.87 38.12 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.605 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.75 -27.35 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 0.0 110.985 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.9 m -86.81 -33.57 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.312 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CE1' ' HE2' ' A' ' 79' ' ' LYS . 24.2 m-85 -94.02 -26.64 16.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.19 26.3 14.51 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.705 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.427 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 16.6 m -113.36 158.39 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.92 0.391 . . . . 0.0 111.053 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -70.09 162.0 29.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.789 ' CZ ' HG23 ' A' ' 29' ' ' THR . 12.7 t80 -61.17 -34.49 75.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.794 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -76.52 -28.34 56.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.003 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -58.07 -30.84 66.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.452 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 33.7 mm -70.57 -67.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.014 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.739 ' CE2' HG11 ' A' ' 84' ' ' VAL . 9.1 m-30 -138.43 150.76 46.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' HB3' HG22 ' A' ' 50' ' ' VAL . 7.9 t30 -93.93 165.21 12.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.837 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 m -51.78 -34.8 41.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.44 HG22 ' HB3' ' A' ' 48' ' ' ASN . 6.1 m -69.88 -28.49 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.647 HG21 ' CG ' ' A' ' 47' ' ' PHE . 86.9 m -72.15 -59.18 2.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.4 mt -50.53 -47.88 57.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.223 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -35.23 74.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.746 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.919 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -67.4 -56.77 8.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.69 179.621 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.81 HD23 HD21 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -60.78 -18.86 57.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.513 179.575 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -84.91 -54.49 4.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.327 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.54 -29.79 27.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.127 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.2 p -89.04 -52.6 4.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.603 HD13 ' HB3' ' A' ' 91' ' ' TYR . 0.1 OUTLIER 66.31 52.42 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.058 0.456 . . . . 0.0 110.81 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.16 134.68 33.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.585 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.404 ' CB ' ' HB3' ' A' ' 88' ' ' LEU . 0.6 OUTLIER -89.39 84.58 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.128 -179.863 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.518 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -125.69 155.1 72.98 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.681 179.433 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -88.8 -48.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.803 2.335 . . . . 0.0 112.825 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.25 -40.74 67.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.482 HG23 ' HB3' ' A' ' 62' ' ' ASP . 42.7 t -54.17 -25.89 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.794 HD12 HD21 ' A' ' 77' ' ' LEU . 29.4 mt -84.19 -29.92 26.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.807 HD21 ' HG3' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -59.91 -37.19 78.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.934 0.397 . . . . 0.0 110.861 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -75.01 -19.07 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.364 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.919 HD12 ' HB3' ' A' ' 54' ' ' LYS . 24.8 mm -63.96 137.78 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.907 0.384 . . . . 0.0 111.054 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.5 128.53 36.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.76 -27.88 14.48 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.529 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.494 ' CG2' HG23 ' A' ' 51' ' ' THR . 7.4 t -86.23 133.19 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.323 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.6 p -129.39 -178.27 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.807 ' HG3' HD21 ' A' ' 67' ' ' LEU . 2.4 mp0 -62.93 -32.32 73.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -74.17 -36.33 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.023 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -31.88 63.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.794 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -86.71 -19.88 28.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.077 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -91.26 -30.25 16.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.711 0.291 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.417 ' HE2' ' CE1' ' A' ' 39' ' ' PHE . 9.5 tttt -96.06 -58.26 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.345 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.607 ' O ' HG22 ' A' ' 84' ' ' VAL . 27.5 m-85 -83.74 -6.6 59.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.595 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.437 ' HA2' HG22 ' A' ' 84' ' ' VAL . . . -57.9 -47.64 87.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.745 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.76 -26.29 33.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.639 0.257 . . . . 0.0 111.627 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.796 ' CD ' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -96.19 -61.35 1.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.702 0.287 . . . . 0.0 111.467 -179.578 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.739 HG11 ' CE2' ' A' ' 47' ' ' PHE . 28.8 m -47.44 -45.53 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-O 120.859 0.361 . . . . 0.0 111.314 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.634 HG12 HG23 ' A' ' 84' ' ' VAL . 1.3 mm -65.94 -30.22 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.219 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -57.62 -32.21 67.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.917 0.389 . . . . 0.0 110.464 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.538 HG11 ' HB3' ' A' ' 27' ' ' GLU . 13.0 t -90.42 -22.15 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.262 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.81 HD21 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -78.77 -28.87 44.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.522 -179.638 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -49.68 -28.14 5.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -72.24 -30.3 64.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.016 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.603 ' HB3' HD13 ' A' ' 59' ' ' LEU . 3.4 m-30 -73.03 -45.17 59.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.047 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.9 m -62.26 -25.22 67.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.51 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -95.65 -26.15 15.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.585 0.231 . . . . 0.0 111.438 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -98.27 -8.27 27.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.433 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.2 t -66.86 -42.45 85.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 111.15 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.18 134.24 19.99 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.95 -167.2 0.4 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.537 2.158 . . . . 0.0 112.255 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 63.32 122.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.8 142.67 28.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -161.26 154.49 21.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.2 p . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.917 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -134.87 63.99 60.54 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 0.0 111.137 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.66 -60.0 0.79 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.586 2.191 . . . . 0.0 112.267 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.47 123.87 44.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -176.74 -40.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -116.02 102.33 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -125.54 162.5 24.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -72.06 127.72 33.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.75 ' O ' HD22 ' A' ' 10' ' ' LEU . . . -163.92 -67.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.75 HD22 ' O ' ' A' ' 9' ' ' ALA . 2.7 mm? -134.57 165.94 24.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 m -126.51 143.96 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.71 119.72 35.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.62 -31.42 11.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 15' ' ' SER . 21.5 t -120.28 157.72 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.464 ' N ' HG12 ' A' ' 14' ' ' VAL . 0.4 OUTLIER -65.63 84.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -32.3 60.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.664 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -59.76 -29.09 67.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.28 -44.86 90.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.64 -24.83 53.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.43 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 78.6 mmm -70.66 -44.58 66.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.7 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 9.4 m -67.53 -38.58 80.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.395 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -51.08 68.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.996 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.07 -27.7 34.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.174 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.603 ' HB2' HD21 ' A' ' 59' ' ' LEU . 17.3 t -70.9 -38.3 72.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.099 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 53' ' ' LYS . 0.7 OUTLIER -61.49 -37.05 82.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.865 0.364 . . . . 0.0 110.729 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.79 -49.29 7.21 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.721 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.618 ' HB3' HG11 ' A' ' 87' ' ' VAL . 14.3 mm-40 -58.35 -47.35 84.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.337 . . . . 0.0 110.988 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 28' ' ' LEU . 14.1 mt -60.3 -30.91 69.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.07 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.64 HG23 ' CZ ' ' A' ' 43' ' ' TYR . 89.0 m -59.96 -44.59 94.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.814 0.34 . . . . 0.0 110.454 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -59.56 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.815 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 28' ' ' LEU . 4.7 p -52.77 -38.36 27.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 m -58.0 -53.98 52.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -60.08 -46.89 88.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.927 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 m -54.61 -29.76 52.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.768 HD11 ' HB3' ' A' ' 83' ' ' GLU . 45.3 mt -81.2 -21.04 39.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.048 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.433 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -83.87 -38.08 10.84 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.766 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -22.14 60.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.722 0.296 . . . . 0.0 111.185 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.9 m -90.51 -32.19 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.439 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -96.35 -22.06 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.175 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.4 23.4 21.83 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.77 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.433 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 29.3 m -115.07 149.46 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.72 161.81 19.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.195 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.64 ' CZ ' HG23 ' A' ' 29' ' ' THR . 7.0 t80 -56.43 -53.23 59.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.821 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.7 -26.38 65.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.987 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -36.44 72.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.999 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.454 ' CD1' ' CZ ' ' A' ' 80' ' ' TYR . 34.8 mm -66.12 -67.34 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.065 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.689 ' CE2' HG11 ' A' ' 84' ' ' VAL . 11.8 m-30 -137.67 143.79 41.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.65 165.33 21.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.756 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m -51.28 -47.41 62.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.063 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.9 p -70.7 -21.83 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.283 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.546 HG23 HG23 ' A' ' 72' ' ' VAL . 25.6 m -73.12 -51.13 19.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.104 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.17 -51.02 71.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.036 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HA ' HD12 ' A' ' 25' ' ' LEU . 10.5 ptpt -54.27 -27.82 37.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.886 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.62 ' HB3' HD12 ' A' ' 69' ' ' ILE . 3.5 mptt -66.59 -59.07 3.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.554 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.549 ' CG ' HD22 ' A' ' 66' ' ' LEU . 1.0 OUTLIER -58.06 -21.76 47.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.286 179.345 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.7 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -79.74 -49.76 11.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.107 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.55 -33.81 64.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -83.49 -50.35 8.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER 63.96 49.12 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.903 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -139.0 124.85 19.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.729 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.59 84.7 5.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.096 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.528 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -125.39 156.16 70.61 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.593 179.703 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -88.94 -50.42 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.754 2.302 . . . . 0.0 112.953 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -39.42 67.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.721 0.296 . . . . 0.0 111.381 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.7 t -53.09 -25.31 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.848 HD12 HD21 ' A' ' 77' ' ' LEU . 25.6 mt -85.52 -30.37 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.639 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -57.51 -36.71 71.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.737 179.557 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -75.29 -21.27 58.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.62 HD12 ' HB3' ' A' ' 54' ' ' LYS . 20.6 mm -63.89 142.74 16.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.88 0.371 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -66.81 131.05 45.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.91 -34.93 4.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.575 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.546 HG23 HG23 ' A' ' 51' ' ' THR . 14.8 t -79.37 137.74 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.811 0.338 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 p -133.1 -177.6 4.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -32.63 72.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.147 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -77.36 -29.54 53.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.186 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.96 -31.44 22.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.848 HD21 HD12 ' A' ' 66' ' ' LEU . 1.1 tm? -81.54 -27.01 34.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -86.3 -23.79 26.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -96.06 -54.68 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.221 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.663 ' O ' HG22 ' A' ' 84' ' ' VAL . 24.1 m-85 -82.26 -23.84 35.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.412 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 77' ' ' LEU . . . -47.04 -28.98 4.35 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.982 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.57 -27.74 64.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.74 0.305 . . . . 0.0 111.345 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.768 ' HB3' HD11 ' A' ' 35' ' ' LEU . 1.4 tp10 -95.98 -59.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.202 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.689 HG11 ' CE2' ' A' ' 47' ' ' PHE . 2.2 m -48.19 -54.29 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.429 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.466 ' H ' HG23 ' A' ' 84' ' ' VAL . 21.7 mt -58.23 -28.36 34.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -33.66 70.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.024 0.44 . . . . 0.0 110.292 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.618 HG11 ' HB3' ' A' ' 27' ' ' GLU . 14.1 t -90.66 -19.94 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.495 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.634 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -85.18 -19.16 32.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.299 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.83 -28.94 53.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.858 0.361 . . . . 0.0 111.052 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -69.96 -30.04 67.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.313 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.634 ' HD2' HD23 ' A' ' 88' ' ' LEU . 3.4 m-30 -70.95 -52.62 18.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 0.0 110.984 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.0 p -55.23 -25.94 36.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -91.55 -25.51 19.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.175 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -106.35 13.27 28.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.344 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.3 t -97.42 -31.1 12.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.773 0.32 . . . . 0.0 111.121 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.9 p -96.76 107.46 37.02 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.09 103.74 1.79 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.496 2.131 . . . . 0.0 112.39 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -164.84 -70.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -97.46 130.39 44.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 60.05 101.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.329 -0.844 . . . . 0.0 110.875 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.542 HD12 ' HG3' ' A' ' 4' ' ' GLU . 2.0 pt -145.92 136.16 12.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.599 0.237 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.58 99.84 1.31 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.52 2.146 . . . . 0.0 112.348 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.542 ' HG3' HD12 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -141.03 158.44 43.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.4 t80 61.01 159.79 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.1 mttt 62.21 -81.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.042 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 57.43 22.13 7.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.131 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 52.83 -178.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.13 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.517 ' HB1' ' HA ' ' A' ' 98' ' ' ALA . . . -111.67 -61.57 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 tt -177.04 109.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.9 p -144.15 147.8 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.051 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.44 -56.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.02 30.1 19.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.028 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 14' ' ' VAL . 11.3 m -89.7 76.51 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.012 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.87 16.39 9.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.279 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -91.55 -32.91 15.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.905 0.384 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -71.64 -54.35 10.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.48 -29.92 66.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -75.66 -26.97 58.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.901 ' HB3' HD11 ' A' ' 59' ' ' LEU . 73.6 mmm -74.68 -50.37 17.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.067 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.794 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 35.3 m -55.9 -43.64 75.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.888 0.375 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.449 ' N ' HG23 ' A' ' 21' ' ' VAL . 12.7 mmtm -63.31 -40.38 97.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.083 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -31.61 71.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.495 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.504 ' HG ' ' HE2' ' A' ' 91' ' ' TYR . 11.7 t -62.54 -39.8 94.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.211 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -62.25 -35.32 78.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.673 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.45 -56.99 3.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.693 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -54.4 -41.94 69.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.334 . . . . 0.0 111.062 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.822 HD22 HG23 ' A' ' 84' ' ' VAL . 16.2 mt -63.58 -30.61 71.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.619 HG23 ' OH ' ' A' ' 43' ' ' TYR . 91.4 m -62.62 -32.8 73.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.5 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.06 -58.26 4.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.797 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.656 HG21 ' HA ' ' A' ' 84' ' ' VAL . 7.3 p -54.15 -30.83 20.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.92 0.39 . . . . 0.0 111.07 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.5 m -65.26 -39.93 93.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.57 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HE2' ' CD1' ' A' ' 43' ' ' TYR . 10.8 mttt -74.57 -44.94 48.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.811 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.565 ' O ' HG13 ' A' ' 38' ' ' VAL . 12.5 m -55.88 -33.21 64.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.814 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.819 HD13 ' CD1' ' A' ' 80' ' ' TYR . 66.1 mt -74.09 -28.34 61.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.693 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.416 ' HA2' ' CG2' ' A' ' 41' ' ' VAL . . . -78.73 -35.84 30.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.547 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -74.85 -27.87 60.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.726 0.298 . . . . 0.0 111.038 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 34' ' ' SER . 32.8 m -84.4 -45.35 17.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.434 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.504 ' N ' HG23 ' A' ' 38' ' ' VAL . 47.2 m-85 -86.43 -26.23 24.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.28 25.39 16.56 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.717 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.416 ' CG2' ' HA2' ' A' ' 36' ' ' GLY . 15.8 m -109.53 152.75 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.983 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -60.87 160.44 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.197 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.619 ' OH ' HG23 ' A' ' 29' ' ' THR . 11.3 t80 -59.59 -51.28 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.715 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -66.13 -17.46 64.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.235 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -30.13 67.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.238 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.625 HD12 ' CE1' ' A' ' 80' ' ' TYR . 15.8 mm -75.4 -67.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.251 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.608 ' HE2' HG21 ' A' ' 84' ' ' VAL . 22.7 m-85 -139.82 158.32 44.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -93.99 165.2 12.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.3 m -56.05 -39.7 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.1 p -74.1 -24.69 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.421 HG23 HG23 ' A' ' 72' ' ' VAL . 39.2 m -74.51 -48.34 27.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.099 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' A' ' 47' ' ' PHE . 76.1 mt -58.82 -46.42 87.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.51 ' HA ' HD12 ' A' ' 25' ' ' LEU . 4.3 ptpt -58.95 -32.77 69.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.955 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.678 ' HB3' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -63.55 -58.54 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.835 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.692 HD21 HD22 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -57.71 -22.07 44.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.364 179.697 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.794 ' HB1' ' O ' ' A' ' 21' ' ' VAL . . . -75.44 -55.16 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.262 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.74 -32.55 59.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.5 p -75.35 -46.5 32.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.768 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.901 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER 63.95 41.98 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.04 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 p -139.15 135.32 33.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.772 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.1 t -93.99 85.3 4.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.528 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 1.4 m-20 -124.65 156.48 68.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.673 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -87.83 -47.33 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.87 2.38 . . . . 0.0 113.058 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.9 -40.58 60.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.43 HG23 ' HB3' ' A' ' 62' ' ' ASP . 58.4 t -50.42 -26.26 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.15 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.97 HD12 HD21 ' A' ' 77' ' ' LEU . 3.8 mt -88.05 -30.85 19.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.725 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.442 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -52.24 -37.09 54.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 179.739 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -77.33 -23.97 50.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.885 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.678 HD12 ' HB3' ' A' ' 54' ' ' LYS . 18.5 mm -63.64 136.26 26.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -65.28 127.81 33.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 104.56 -32.83 7.1 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.421 HG23 HG23 ' A' ' 51' ' ' THR . 17.4 t -83.33 138.15 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.1 -176.58 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -69.41 -30.83 68.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -77.6 -35.33 52.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -71.05 -39.9 71.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.97 HD21 HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -82.7 -11.92 57.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.318 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -84.14 -41.47 17.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.756 0.312 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HE3' ' CE2' ' A' ' 39' ' ' PHE . 21.8 ttpt -93.43 -57.95 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.092 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.859 ' O ' HG12 ' A' ' 84' ' ' VAL . 12.2 m-85 -70.96 -11.32 60.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.294 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.81 -14.29 36.53 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.096 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.5 -25.66 15.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.936 0.368 . . . . 0.0 111.687 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.668 ' CG ' HD21 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -96.57 -69.89 0.74 Allowed 'General case' 0 C--O 1.233 0.228 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.272 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.859 HG12 ' O ' ' A' ' 80' ' ' TYR . 7.2 p -53.75 -32.78 21.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.719 -179.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.1 mm -72.01 -33.37 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.518 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 t -57.93 -30.31 65.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.146 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.5 t -82.11 -21.3 9.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.892 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.712 HD23 ' HD2' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -84.51 -25.05 29.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.436 -179.658 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -51.48 -31.81 24.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 110.738 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -65.17 -45.04 86.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.755 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.751 ' O ' HG22 ' A' ' 95' ' ' THR . 1.0 OUTLIER -60.49 -38.48 84.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.527 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.4 ' HA ' ' CG2' ' A' ' 95' ' ' THR . 9.2 t -58.41 -30.34 66.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.856 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.32 -28.58 34.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -81.35 -36.96 29.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 91' ' ' TYR . 2.1 t -71.1 -17.4 62.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.378 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.3 m -83.71 137.21 41.38 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.942 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -77.74 61.28 7.49 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.668 2.245 . . . . 0.0 112.407 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.517 ' HA ' ' HB1' ' A' ' 9' ' ' ALA . . . -173.04 145.92 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -152.19 104.03 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.1 69.67 1.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 53.4 p . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.952 179.992 . . . . . . . . 0 0 . 1 stop_ save_